{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":76,"total_is_capped":false,"direct_labels_cover":0,"predictions_cover":76,"direct_label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline (scores rank; they never assert a category)","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12","author_layer_release":"2026-06-26"},"query_hash":"b32464b1b0a0","filters":{"venue":"Chemical Physics"}},"results":[{"id":"W1965932041","doi":"10.1016/s0301-0104(02)00566-9","title":"Molecular spintronics: spin-dependent electron transport in molecular wires","year":2002,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":146,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Simon Fraser University","funders":"","keywords":"Nickel; Ferromagnetism; Molecular wire; Conductance; Monolayer; Molecule; Molecular electronics; Metal","authors":[],"retraction":null,"screen_n_in":null,"score":{"opus":0.003998925527028168,"gpt":0.1882867753927246,"spread":0.1842878498656964,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001410868,0.000199492,0.0004037161,0.0002958335,0.0004229134,0.001197585,0.0004539196,0.0008403503,0.002530843],"category_scores_gemma":[0.0003216024,0.0001814269,0.0001296062,0.0003404887,0.0008465758,0.001434684,0.0003438542,0.0007005108,0.0005206502],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003579598,"about_ca_system_score_gemma":0.000144596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001267547,"about_ca_topic_score_gemma":0.0002250367,"domain_scores_codex":[0.9999365,0.00001221202,0.0000024989,0.00001452802,0.00002364651,0.00001070954],"domain_scores_gemma":[0.9999391,0.00002151924,0.00000736333,0.00001113299,0.00001091308,0.000009904248],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001060917,0.00005589315,0.0001026483,0.0002113352,0.00001048153,0.0001185963,0.0001016633,0.002732915,0.05091314,0.9167261,0.006062272,0.02285902],"study_design_scores_gemma":[0.00005101464,0.00010733,0.0004564829,0.00008197645,0.00002850092,0.0003958039,0.00008090628,0.07878821,0.06541778,0.8001856,0.05436271,0.00004375148],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4461416,0.06577305,0.2207507,0.02001294,0.007338628,0.00009974038,0.0004886727,0.001456722,0.237938],"genre_scores_gemma":[0.9420916,0.01021826,0.01868806,0.0006941613,0.00115165,0.00004414731,0.0001636336,0.0001117379,0.02683663],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002530843,"threshold_uncertainty_score":0.008466542,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2031070707","doi":"10.1016/j.chemphys.2005.06.038","title":"Conditions for strictly purity-decreasing quantum Markovian dynamics","year":2005,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Quantum Information and Cryptography","field":"Computer Science","cited_by":60,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Semigroup; Mathematics; Unital; Pure mathematics; Hilbert space; Quantum; Class (philosophy); Characterization (materials science); Operator (biology); Markov process; Quantum operation; Discrete mathematics; Quantum dynamics; Quantum mechanics; Algebra over a field; Physics; Computer science","authors":[{"name":"Daniel A. Lidar","is_ca":true},{"name":"Alireza Shabani","is_ca":true},{"name":"Robert Alicki","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01271354771036651,"gpt":0.2533179031617506,"spread":0.2406043554513841,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.005306023,0.001077125,0.002030687,0.002380745,0.004695307,0.004754979,0.002813702,0.00345847,0.01548407],"category_scores_gemma":[0.02846867,0.001662258,0.001678453,0.001857803,0.007122808,0.0131947,0.006032498,0.007942463,0.002596614],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002759973,"about_ca_system_score_gemma":0.004156757,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002242306,"about_ca_topic_score_gemma":0.001826509,"domain_scores_codex":[0.9967361,0.0007433632,0.0002271725,0.0005327094,0.000804914,0.0009557141],"domain_scores_gemma":[0.9729591,0.01683501,0.001662936,0.001583838,0.003599976,0.003359251],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0000486378,0.00001984723,0.00006107742,0.00002232193,0.000003692609,0.0000411836,0.0001311447,0.0005038553,0.0009184298,0.9969824,0.0007086605,0.0005587253],"study_design_scores_gemma":[0.00003692262,0.00002050791,0.000112107,0.00001396484,0.000004901629,0.00007907865,0.00006550812,0.007674462,0.0009479398,0.9901023,0.0009171683,0.00002510406],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2850782,0.0006422203,0.5231001,0.008977399,0.0006412343,0.0004307549,0.001956278,0.001394979,0.1777787],"genre_scores_gemma":[0.921546,0.0007839678,0.05315505,0.002553715,0.0005859531,0.0005738635,0.001053661,0.0006950042,0.01905275],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01548407,"threshold_uncertainty_score":0.05179936,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2046507038","doi":"10.1016/j.chemphys.2005.04.001","title":"Excited state dynamics of a conformationally disordered conjugated polymer: A comparison of solutions and film","year":2005,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":55,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Chlorobenzene; Chromophore; Chemistry; Excited state; Photoexcitation; Conjugated system; Relaxation (psychology); Photochemistry; Tetrahydrofuran; Absorption (acoustics); Spectral line; Chemical physics; Polymer; Excitation; Fluorescence; Exciton; Molecular physics; Solvent; Atomic physics; Optics; Condensed matter physics; Organic chemistry","authors":[{"name":"Tieneke E. Dykstra","is_ca":true},{"name":"Vitalij Kovalevskij","is_ca":true},{"name":"Xiujuan Yang","is_ca":true},{"name":"Gregory D. Scholes","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01248431341189881,"gpt":0.244714110615142,"spread":0.2322297972032432,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006252121,0.0001193677,0.0001780119,0.0001243348,0.0001815015,0.0003846569,0.0001869616,0.0002028212,0.001840921],"category_scores_gemma":[0.0001885258,0.0001036698,0.0001242468,0.0001637205,0.0002562536,0.0005177472,0.0001322319,0.0004593437,0.0001285985],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001975482,"about_ca_system_score_gemma":0.0001482279,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008363844,"about_ca_topic_score_gemma":0.0005270708,"domain_scores_codex":[0.999972,0.000002445343,9.095517e-7,0.00001024363,0.000005536688,0.000008841927],"domain_scores_gemma":[0.9999309,0.00003600166,0.000009077972,0.000004764024,0.000008851863,0.00001046542],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002804211,0.00008879141,0.001224893,0.00006293324,0.00001556329,0.0001304267,0.000174977,0.001200994,0.9883094,0.0008988717,0.0001547146,0.007458016],"study_design_scores_gemma":[0.00005405977,0.0005174997,0.01074606,0.00001391647,0.00003723586,0.000262748,0.0001882848,0.03402339,0.952049,0.0005303886,0.001555406,0.00002202326],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978921,0.0002345678,0.001001922,0.0000341956,0.000004068869,0.000003465011,0.00004560746,0.00001259504,0.0007716157],"genre_scores_gemma":[0.9981397,0.0002388031,0.0005363006,0.00001389429,0.000003364335,0.000003877948,0.000107569,0.000007771676,0.0009487124],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001840921,"threshold_uncertainty_score":0.006158471,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2058008239","doi":"10.1016/s0301-0104(01)00373-1","title":"Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":43,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Chemistry; Conrotatory and disrotatory; Complete active space; Ab initio; Conical intersection; Vibronic coupling; Potential energy; Perturbation theory (quantum mechanics); Computational chemistry; Symmetry (geometry); Molecular physics; Valence (chemistry); Bipolar coordinates; Orthogonal coordinates; Atomic physics; Quantum mechanics; Physics; Basis set; Geometry; Density functional theory; Molecule","authors":[{"name":"B. Ostojić","is_ca":true},{"name":"Wolfgang Domcke","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01350781291254155,"gpt":0.2202948412765157,"spread":0.2067870283639742,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005700784,0.0007324698,0.001242258,0.0009911649,0.002006415,0.001384294,0.001325869,0.001652955,0.004531156],"category_scores_gemma":[0.001290026,0.0005837782,0.0007808056,0.00106742,0.0009760439,0.0008791202,0.0007694982,0.001445255,0.0005033339],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001350105,"about_ca_system_score_gemma":0.001788094,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0113503,"about_ca_topic_score_gemma":0.01719017,"domain_scores_codex":[0.999772,0.00004265595,0.000005337221,0.00001090953,0.0001058279,0.00006327438],"domain_scores_gemma":[0.9994571,0.0002945472,0.00003297135,0.00007064537,0.0001030083,0.00004164426],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003997732,0.0002728298,0.00234976,0.000589192,0.00008620863,0.00065895,0.0003076017,0.8249073,0.01411928,0.1381347,0.002504195,0.01567016],"study_design_scores_gemma":[0.00008244964,0.00006874021,0.0008683696,0.00003067812,0.00001776848,0.00004252174,0.0001196882,0.9843551,0.002434639,0.01117118,0.0007926527,0.00001630408],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9134257,0.00170001,0.02011407,0.001204528,0.0001414822,0.0001144333,0.0005100152,0.0004192823,0.06237047],"genre_scores_gemma":[0.9860445,0.0007333584,0.008348012,0.0001809603,0.00004038059,0.0001175351,0.0003090289,0.00008413968,0.004142122],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0113503,"threshold_uncertainty_score":0.02256846,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2766290451","doi":"10.1016/j.chemphys.2017.10.006","title":"A multimode-like scheme for selecting the centers of Gaussian basis functions when computing vibrational spectra","year":2017,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":40,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Ministry of Education - Singapore; Alexander von Humboldt-Stiftung","keywords":"Gaussian; Multi-mode optical fiber; Basis function; Basis (linear algebra); Basis set; Gaussian function; Hyperplane; Chemistry; Statistical physics; Mathematical analysis; Algorithm; Mathematics; Physics; Computational chemistry; Optics; Combinatorics; Geometry; Optical fiber","authors":[{"name":"Sergei Manzhos","is_ca":false},{"name":"Xiaogang Wang","is_ca":true},{"name":"Tucker Carrington","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02359661508325172,"gpt":0.2812736796635089,"spread":0.2576770645802571,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009913774,0.0007061296,0.0004158405,0.0007800162,0.001300575,0.001108521,0.001402472,0.0009069229,0.004436856],"category_scores_gemma":[0.003470333,0.0003339391,0.0003071199,0.001368725,0.0003959102,0.001057726,0.0009504193,0.001276685,0.001094124],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000587641,"about_ca_system_score_gemma":0.001358882,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001905681,"about_ca_topic_score_gemma":0.006498597,"domain_scores_codex":[0.9995295,0.0001528188,0.00003348342,0.00009153548,0.0001464767,0.00004620311],"domain_scores_gemma":[0.9989225,0.0002430252,0.00007110831,0.000395952,0.00029472,0.00007269775],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009632388,0.0003665914,0.0018854,0.000176457,0.0000965504,0.0001010077,0.00039152,0.03246255,0.354216,0.07944614,0.005505357,0.5243891],"study_design_scores_gemma":[0.00009610493,0.0002035634,0.0009646722,0.00003375831,0.00003970287,0.0002111789,0.00005899429,0.6787807,0.2917703,0.01715186,0.01058687,0.0001022902],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01568373,0.00004315698,0.9814463,0.00006851938,0.00004667164,0.000105374,0.00009507404,0.001177553,0.001333565],"genre_scores_gemma":[0.04683407,0.000025533,0.9517155,0.00005276478,0.000008610155,0.000122187,0.00007642108,0.0001194231,0.001045446],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004436856,"threshold_uncertainty_score":0.01484275,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1588611501","doi":"10.1007/3-540-28216-5","title":"Transport Coefficients of Fluids","year":2006,"lang":"en","type":"book","venue":"Chemical Physics","topic":"Experimental and Theoretical Physics Studies","field":"Physics and Astronomy","cited_by":38,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"McGill University","funders":"","keywords":"van der Waals force; Kinetic theory; Statistical physics; Simple (philosophy); Van der Waals equation; Kinetic energy; Thermodynamics; Physics; Classical mechanics; Quantum mechanics; Epistemology; Philosophy; Molecule","authors":[{"name":"Byung Chan Eu","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006651192213276864,"gpt":0.2217833376216035,"spread":0.2151321454083266,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004522701,0.001455913,0.00108432,0.002316438,0.0006896184,0.001592988,0.001259973,0.000982504,0.01265008],"category_scores_gemma":[0.001213692,0.0006792601,0.0004946249,0.001690403,0.001855947,0.003171003,0.000762928,0.00289734,0.005924643],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001419548,"about_ca_system_score_gemma":0.001028248,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001604129,"about_ca_topic_score_gemma":0.00164108,"domain_scores_codex":[0.9997517,0.00002852326,0.00001125756,0.00004514401,0.0001432231,0.00002017687],"domain_scores_gemma":[0.999719,0.00009887701,0.0000150735,0.00004407003,0.0001026743,0.00002035514],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00000808279,0.00001828584,0.00003592963,0.0001917963,0.000008805757,0.00002874367,0.000125442,0.001748101,0.001748596,0.8972217,0.05747618,0.04138838],"study_design_scores_gemma":[0.000006260108,0.0000115522,0.0002209445,0.00009422811,0.00001046783,0.0002236043,0.00003801729,0.008414739,0.001684496,0.5734142,0.4158587,0.00002284351],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.005768868,0.0630396,0.127236,0.004277986,0.007432915,0.0001290584,0.000944953,0.0009165519,0.790254],"genre_scores_gemma":[0.06528209,0.04982699,0.08148115,0.001007139,0.003930768,0.0002818144,0.001422014,0.001091431,0.7956766],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.01265008,"threshold_uncertainty_score":0.0423187,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2056657832","doi":"10.1016/j.chemphys.2006.02.001","title":"A new expression for radial distribution function and infinite shear modulus of Lennard-Jones fluids","year":2006,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":38,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"National Research Council Canada","funders":"Shahid Chamran University of Ahvaz; Isfahan University of Technology","keywords":"Radial distribution function; Chemistry; Shear modulus; Molecular dynamics; Expression (computer science); Thermodynamics; Range (aeronautics); Function (biology); Statistical physics; Convergence (economics); Lennard-Jones potential; Computational chemistry; Physics; Materials science","authors":[{"name":"Mehrdad Bamdad","is_ca":false},{"name":"Saman Alavi","is_ca":true},{"name":"Bijan Najafi","is_ca":false},{"name":"Ezat Keshavarzi","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006497544848408355,"gpt":0.1927056970345128,"spread":0.1862081521861044,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001069031,0.001195642,0.00103835,0.001911117,0.0008337076,0.001655672,0.001844393,0.001659508,0.003088639],"category_scores_gemma":[0.002839188,0.0004312178,0.0008526492,0.0009690413,0.001216611,0.003991126,0.001438996,0.002290099,0.002403166],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009626949,"about_ca_system_score_gemma":0.0008158812,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008416906,"about_ca_topic_score_gemma":0.001128893,"domain_scores_codex":[0.9995645,0.00007864218,0.00004519125,0.00009704698,0.000171115,0.00004353434],"domain_scores_gemma":[0.9995185,0.000111391,0.00004096401,0.00006872197,0.0002017171,0.00005861084],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00003067634,0.00006161423,0.0002690911,0.0002174176,0.00003531148,0.0003861943,0.0002448818,0.009388855,0.02413664,0.9157078,0.008782443,0.0407391],"study_design_scores_gemma":[0.00002420238,0.00005418164,0.0007203535,0.0001024633,0.00006753491,0.001651142,0.0001113678,0.3521627,0.01186398,0.5341989,0.09891573,0.0001274818],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.01334054,0.004140176,0.9537743,0.001068612,0.002078048,0.00008101286,0.000190087,0.0005058071,0.0248214],"genre_scores_gemma":[0.234945,0.00838974,0.6614202,0.002418882,0.003861219,0.000437925,0.0008147532,0.002310637,0.08540173],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003088639,"threshold_uncertainty_score":0.01033258,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2062156366","doi":"10.1016/j.chemphys.2007.07.031","title":"On the mechanism of weak-field coherent control of retinal isomerization in bacteriorhodopsin","year":2007,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Photoreceptor and optogenetics research","field":"Neuroscience","cited_by":37,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Guelph; University of Toronto","funders":"","keywords":"Photoisomerization; Chemistry; Reaction dynamics; Bacteriorhodopsin; Coherent control; Quantum decoherence; Chemical Dynamics; Isomerization; Context (archaeology); Chemical physics; Quantum; Molecular physics; Physics; Quantum mechanics; Molecule","authors":[{"name":"Valentyn I. Prokhorenko","is_ca":true},{"name":"Andrea M. Nagy","is_ca":true},{"name":"Leonid S. Brown","is_ca":true},{"name":"R. J. Dwayne Miller","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03043130092584966,"gpt":0.2930837831745546,"spread":0.2626524822487049,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004367434,0.0002021948,0.0002992067,0.0002625165,0.0004909344,0.0006105196,0.0008668272,0.0003794269,0.002169005],"category_scores_gemma":[0.0005658204,0.0001960441,0.0003103249,0.0001867635,0.001042818,0.0009638907,0.0004576395,0.0008596629,0.000273635],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004518399,"about_ca_system_score_gemma":0.0002957083,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006187273,"about_ca_topic_score_gemma":0.0006276533,"domain_scores_codex":[0.9999186,0.000008991493,0.000003877386,0.0000140745,0.00003250231,0.00002188402],"domain_scores_gemma":[0.9997854,0.0001279857,0.00001742109,0.00002788703,0.00002157408,0.00001984339],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0005548765,0.000108338,0.0008221575,0.0003125335,0.00008308883,0.000698673,0.0003682687,0.01706082,0.5974805,0.3393163,0.001912792,0.04128169],"study_design_scores_gemma":[0.0002388485,0.0004620835,0.007040964,0.00007977225,0.0001171533,0.0004718538,0.0003645845,0.3130041,0.3569342,0.3080035,0.01310813,0.0001749776],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7547618,0.012271,0.1889683,0.004419603,0.001049497,0.0001424671,0.000148818,0.0005245038,0.03771405],"genre_scores_gemma":[0.9855754,0.00345885,0.006339768,0.0002130922,0.0001311898,0.00002532019,0.00004081787,0.00004887399,0.004166506],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002169005,"threshold_uncertainty_score":0.007256091,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2089483339","doi":"10.1016/j.chemphys.2008.08.001","title":"Positivity preserving chemical Langevin equations","year":2008,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Gene Regulatory Network Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":30,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Brownian dynamics; Stochastic differential equation; Brownian motion; Statistical physics; Langevin equation; Independent equation; Applied mathematics; Chemistry; Mathematics; Differential equation; Physics; Mathematical analysis; Statistics","authors":[{"name":"Joshua Wilkie","is_ca":true},{"name":"Yin Mei Wong","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01860482228711962,"gpt":0.2397893544458226,"spread":0.2211845321587029,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001127895,0.000896814,0.0009745947,0.00084437,0.0007078248,0.001279034,0.001701579,0.001530857,0.00400781],"category_scores_gemma":[0.00375031,0.0005143959,0.0008655887,0.0007870455,0.002492981,0.002501699,0.002214677,0.002678192,0.0006045365],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001174154,"about_ca_system_score_gemma":0.001336091,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002699038,"about_ca_topic_score_gemma":0.002160565,"domain_scores_codex":[0.9997202,0.00009509628,0.000007813128,0.00004225772,0.000100884,0.00003365835],"domain_scores_gemma":[0.9988869,0.0005481673,0.0001099459,0.00014608,0.0001741337,0.0001349003],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000008311615,0.0000113207,0.000085267,0.00001477595,0.000005823953,0.00003565457,0.00003399987,0.03154639,0.001147101,0.9645107,0.0005983593,0.002002304],"study_design_scores_gemma":[0.00001097718,0.000009379345,0.0001303745,0.000005287381,0.000006076987,0.00004103799,0.00001255418,0.3948135,0.0005137945,0.602966,0.00147725,0.00001383533],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.05296994,0.0005566656,0.8983104,0.002922838,0.0003437205,0.00006992578,0.0002489127,0.0001920543,0.0443855],"genre_scores_gemma":[0.795707,0.002101928,0.1117154,0.001327488,0.0007484144,0.0003773358,0.000355197,0.0004587618,0.08720849],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00400781,"threshold_uncertainty_score":0.01340747,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2055301178","doi":"10.1016/s0301-0104(01)00290-7","title":"Subsystem dynamics in mixed quantum–classical systems","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":29,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; American Chemical Society Petroleum Research Fund","keywords":"Lindblad equation; Master equation; Quantum; Quantum master equation; Classical limit; Dynamics (music); Quantum dynamics; Operator (biology); Classical mechanics; Limit (mathematics); Coupling (piping); Degrees of freedom (physics and chemistry); Equations of motion; Chemistry; Statistical physics; Physics; Quantum mechanics; Mathematics; Mathematical analysis","authors":[{"name":"Mohamad Toutounji","is_ca":true},{"name":"Raymond Kapral","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0144410915820441,"gpt":0.2474636816891585,"spread":0.2330225901071144,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009254091,0.0002721136,0.0006329227,0.0009569944,0.001391131,0.001926861,0.001071145,0.0009082248,0.005935524],"category_scores_gemma":[0.00195301,0.0004335958,0.0004783513,0.0006310543,0.001777969,0.003610599,0.001291549,0.0007319503,0.0003146122],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00117158,"about_ca_system_score_gemma":0.0007648308,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002232806,"about_ca_topic_score_gemma":0.002743931,"domain_scores_codex":[0.9997213,0.00009479117,0.00001298938,0.00003621123,0.00008047147,0.00005421184],"domain_scores_gemma":[0.9990821,0.0003609118,0.00009271297,0.0001257784,0.0001566159,0.0001819747],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0000683678,0.00003308104,0.0005822211,0.00002413026,0.00002031931,0.00006723133,0.0001879513,0.01366803,0.002447228,0.9800984,0.0005171154,0.002285914],"study_design_scores_gemma":[0.00002955242,0.0000559789,0.0009018061,0.00001014878,0.00001168022,0.00006360698,0.0001341085,0.3767088,0.0007487087,0.6205348,0.0007746191,0.00002610669],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8726581,0.0005108491,0.09505095,0.001259521,0.000113555,0.0000445966,0.0001287713,0.0001903756,0.03004324],"genre_scores_gemma":[0.9852421,0.0001762421,0.009617963,0.00009765915,0.0000526458,0.00005466361,0.00005207833,0.00003136984,0.004675348],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005935524,"threshold_uncertainty_score":0.01985627,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2092649823","doi":"10.1016/j.chemphys.2006.10.020","title":"Inner-shell excitation of gas phase carbonates and α,γ-dicarbonyl compounds","year":2006,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":29,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Electronegativity; Delocalized electron; Malonate; Spectroscopy; Computational chemistry; Physical chemistry; Organic chemistry","authors":[{"name":"R.D. Lessard","is_ca":true},{"name":"Jérôme Cuny","is_ca":true},{"name":"Glyn Cooper","is_ca":true},{"name":"Adam P. Hitchcock","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008726072095187616,"gpt":0.2495746704323389,"spread":0.2408485983371513,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002937232,0.000268206,0.0002721079,0.0002953212,0.0006131495,0.0004659063,0.0006887445,0.0005774169,0.009739535],"category_scores_gemma":[0.0005831843,0.0001999517,0.0001453199,0.0002793845,0.0006384873,0.0004346723,0.0007446337,0.0006892068,0.0004183538],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009797595,"about_ca_system_score_gemma":0.0002399562,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002730424,"about_ca_topic_score_gemma":0.003629044,"domain_scores_codex":[0.9998251,0.00001746897,0.000003624129,0.00004136583,0.00003791131,0.00007470304],"domain_scores_gemma":[0.9996563,0.0002033775,0.00004950408,0.00003151238,0.00002255054,0.00003679318],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.003040627,0.0001981856,0.007175607,0.0006870159,0.00005475026,0.0009685744,0.001625536,0.005723785,0.9404973,0.02248882,0.00227473,0.01526513],"study_design_scores_gemma":[0.0003419095,0.0008936526,0.02061339,0.00006604398,0.0000428357,0.0004825584,0.0008734799,0.02146384,0.9420123,0.004471108,0.008667235,0.00007171509],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9871853,0.0003629506,0.0006824966,0.0001802672,0.00003719663,0.000009018581,0.00008041057,0.00005641669,0.01140598],"genre_scores_gemma":[0.9970478,0.0001306289,0.0002165587,0.0000514875,0.000006101241,0.000004304127,0.00007840364,0.00001861213,0.002446087],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009739535,"threshold_uncertainty_score":0.03258204,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2009196881","doi":"10.1016/j.chemphys.2011.04.003","title":"Ultrafast heme–ligand recombination in truncated hemoglobin HbO from Mycobacterium tuberculosis: A ligand cage","year":2011,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Hemoglobin structure and function","field":"Biochemistry, Genetics and Molecular Biology","cited_by":22,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université Laval","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Heme; Ligand (biochemistry); Photoexcitation; Hemeprotein; Photochemistry; Molecule; Stereochemistry; Excited state; Biochemistry; Receptor; Organic chemistry","authors":[{"name":"Audrius Jasaitis","is_ca":false},{"name":"Hugues Ouellet","is_ca":true},{"name":"Jean‐Christophe Lambry","is_ca":false},{"name":"Jean‐Louis Martin","is_ca":false},{"name":"Joel M. Friedman","is_ca":false},{"name":"Michel Guertin","is_ca":true},{"name":"Marten H. Vos","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0117786735224009,"gpt":0.2120482898800056,"spread":0.2002696163576047,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002629556,0.0001308401,0.0002623108,0.0000727253,0.0002450887,0.0002900168,0.0004766369,0.0004541064,0.0007259145],"category_scores_gemma":[0.0003485109,0.0001178234,0.0001274357,0.0001015242,0.0003391645,0.0002110524,0.0002525896,0.0007107351,0.0001120227],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004396715,"about_ca_system_score_gemma":0.0001554295,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007967675,"about_ca_topic_score_gemma":0.0006977422,"domain_scores_codex":[0.9998965,0.00002631,0.000004032353,0.00001811406,0.00002266488,0.00003229664],"domain_scores_gemma":[0.9998079,0.0000871514,0.00003042972,0.00002822175,0.00001289862,0.00003349249],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002805653,0.00007237752,0.0004118674,0.00003824236,0.000008620371,0.0001676508,0.0001027521,0.0004918647,0.995735,0.0009618246,0.000107995,0.001621056],"study_design_scores_gemma":[0.0001094324,0.0003197129,0.003348875,0.000009679736,0.0000171534,0.00031936,0.000106755,0.008328563,0.9861466,0.0003015692,0.0009754451,0.00001679107],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983005,0.00009754351,0.00114256,0.00007226902,0.000005865244,0.00000378393,0.00001801409,0.00001910983,0.0003404723],"genre_scores_gemma":[0.9987429,0.00003179943,0.0005825745,0.00002645342,0.000002456484,0.000005144066,0.00003416201,0.00001381986,0.0005606172],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007967675,"threshold_uncertainty_score":0.0031901,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2029577245","doi":"10.1016/s0301-0104(00)00289-5","title":"Electron momentum spectroscopy study of amantadine: binding energy spectra and valence orbital electron density distributions","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":21,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Amantadine; Electron; Valence (chemistry); Atomic physics; Binding energy; Spectroscopy; Spectral line; Valence electron; Ionization; Ionization energy; Density functional theory; Molecular physics; Computational chemistry; Physics; Quantum mechanics; Ion","authors":[{"name":"I. V. Litvinyuk","is_ca":true},{"name":"Yajing Zheng","is_ca":true},{"name":"C.E. Brion","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005756413518850417,"gpt":0.2406735171753902,"spread":0.2349171036565398,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000175052,0.000153122,0.0002091926,0.0003226348,0.0004573798,0.00021305,0.0004571204,0.0003977286,0.002359279],"category_scores_gemma":[0.0003234439,0.0001395498,0.0001926264,0.0002493038,0.0002234157,0.0002795044,0.0001757659,0.000291998,0.0001939295],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001810706,"about_ca_system_score_gemma":0.0001048039,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007062918,"about_ca_topic_score_gemma":0.0006192514,"domain_scores_codex":[0.9999136,0.00002289446,0.000002451013,0.00001536887,0.0000250315,0.000020579],"domain_scores_gemma":[0.9998591,0.00006256318,0.00002115901,0.00001287312,0.00002968113,0.00001460936],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001357497,0.0001592869,0.002332509,0.0001047795,0.00004382119,0.0003767163,0.0002028261,0.00146499,0.9822184,0.002281496,0.0002940735,0.009163574],"study_design_scores_gemma":[0.00005595792,0.001238404,0.01131515,0.00001599487,0.00004904805,0.001244711,0.0001816034,0.02409527,0.9584515,0.001222373,0.002105099,0.00002491715],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941553,0.0006336328,0.001387133,0.00008937507,0.00001325969,0.000005017837,0.00004275486,0.00002205508,0.003651521],"genre_scores_gemma":[0.9985757,0.0001427902,0.0004556992,0.00001909701,0.000003824242,0.000001684218,0.00003162974,0.000003708838,0.0007658696],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002359279,"threshold_uncertainty_score":0.007892549,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2179295728","doi":"10.1016/j.chemphys.2015.11.004","title":"Surface and interface effects on non-radiative exciton recombination and relaxation dynamics in CdSe/Cd,Zn,S nanocrystals","year":2015,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Quantum Dots Synthesis And Properties","field":"Materials Science","cited_by":20,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Femtosecond; Radiative transfer; Exciton; Photoluminescence; Chemistry; Spontaneous emission; Nanosecond; Nanocrystal; Relaxation (psychology); Picosecond; Auger effect; Biexciton; Chemical physics; Molecular physics; Atomic physics; Auger; Optoelectronics; Materials science; Nanotechnology; Laser; Physics; Optics; Condensed matter physics","authors":[{"name":"Brenna Walsh","is_ca":true},{"name":"Jonathan I. Saari","is_ca":true},{"name":"Michael Krause","is_ca":true},{"name":"Robert Nick","is_ca":false},{"name":"Seth Coe‐Sullivan","is_ca":false},{"name":"Patanjali Kambhampati","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0199812742818246,"gpt":0.250262299639348,"spread":0.2302810253575234,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002126263,0.000195714,0.0002147132,0.0002224925,0.0002812959,0.0006877873,0.0003031661,0.0002543343,0.003126795],"category_scores_gemma":[0.0006906376,0.0001978881,0.0001978636,0.0001776115,0.0003815948,0.0005496597,0.0002316009,0.0003521746,0.0002410707],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006855048,"about_ca_system_score_gemma":0.0002780893,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00622851,"about_ca_topic_score_gemma":0.00482175,"domain_scores_codex":[0.9999121,0.00001036745,0.000004821101,0.00002121153,0.00002379989,0.00002762145],"domain_scores_gemma":[0.9996524,0.0002016426,0.00003628426,0.00001775917,0.00006012181,0.00003180585],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001021903,0.0001321912,0.002535423,0.00009775135,0.00002926168,0.0001860991,0.0002994316,0.001948805,0.9880955,0.001590628,0.0002426454,0.003820289],"study_design_scores_gemma":[0.00007762967,0.0002478134,0.01308297,0.0000110084,0.00005817466,0.00007289004,0.0003721464,0.04604102,0.9389915,0.0003021476,0.0007185093,0.00002405112],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987607,0.0001274698,0.0003647629,0.00002571441,0.000005984111,0.000003110529,0.00003955903,0.00001725171,0.0006554108],"genre_scores_gemma":[0.9990318,0.00006680573,0.0001465547,0.000008610823,0.000003092768,0.000003097193,0.00005781543,0.00001997164,0.0006622415],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00622851,"threshold_uncertainty_score":0.01238453,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2017898861","doi":"10.1016/j.chemphys.2004.07.029","title":"A study of the valence shell spectroscopic and thermodynamic properties of thiophene by photoabsorption and photoion spectroscopy","year":2004,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":20,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa","funders":"","keywords":"Chemistry; Valence (chemistry); Ion; Rydberg formula; Spectroscopy; Fragmentation (computing); Atomic physics; Ionic bonding; Photoionization; Ionization; Thiophene; Synchrotron radiation; Spectral line; Photon energy; Photon; Physics","authors":[{"name":"Emma E. Rennie","is_ca":true},{"name":"D.M.P. Holland","is_ca":false},{"name":"D A Shaw","is_ca":false},{"name":"C. A. F. Johnson","is_ca":false},{"name":"John E. Parker","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008959950247883392,"gpt":0.221494350396474,"spread":0.2125344001485906,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002444763,0.0002604066,0.0001741842,0.000312923,0.0003865446,0.0002426131,0.0003248785,0.0003309131,0.001061526],"category_scores_gemma":[0.000424997,0.0001768939,0.0001859179,0.0003506237,0.0005402811,0.0004310368,0.0002347483,0.0003564755,0.0001329712],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001744635,"about_ca_system_score_gemma":0.0001589971,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008038342,"about_ca_topic_score_gemma":0.0005561869,"domain_scores_codex":[0.9999087,0.00002581386,0.000001514183,0.00001324201,0.00003482222,0.0000158742],"domain_scores_gemma":[0.9997615,0.0001255977,0.00002634024,0.00002461412,0.00004794323,0.00001399852],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002620234,0.00005998362,0.002692761,0.00008190857,0.00002403615,0.0001376605,0.0001516277,0.001419214,0.9859664,0.002738999,0.0001278949,0.006337664],"study_design_scores_gemma":[0.00002685856,0.000523575,0.01812653,0.000009403288,0.00002450652,0.0003580954,0.0001397834,0.0210907,0.9569154,0.001261377,0.001503868,0.00002006976],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960581,0.0004082573,0.002321969,0.00005486671,0.000005011927,0.000008462027,0.00004159111,0.00001767234,0.001084212],"genre_scores_gemma":[0.9980637,0.000284687,0.0009794685,0.00001317297,0.000005479114,0.000007372251,0.00006092831,0.00000694777,0.0005782315],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001061526,"threshold_uncertainty_score":0.003551185,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2090525661","doi":"10.1016/j.chemphys.2007.12.020","title":"Interaction between excitons determines the non-linear response of nanocrystals","year":2008,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Quantum Dots Synthesis And Properties","field":"Materials Science","cited_by":19,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Korea Science and Engineering Foundation","keywords":"Chemistry; Nanocrystal; Exciton; Chemical physics; Nanotechnology; Condensed matter physics; Physics","authors":[{"name":"Mayrose R. Salvador","is_ca":true},{"name":"P. Sreekumari Nair","is_ca":true},{"name":"Minhaeng Cho","is_ca":false},{"name":"Gregory D. Scholes","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0558131462553166,"gpt":0.2812175764524114,"spread":0.2254044301970948,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000209068,0.0001900759,0.0001637216,0.0002134477,0.0003093937,0.0006665368,0.0003055542,0.0004386841,0.002725414],"category_scores_gemma":[0.0007810813,0.0003174271,0.0001129714,0.0001620194,0.0004927146,0.0006439329,0.0003168366,0.0004385162,0.0005900363],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004836801,"about_ca_system_score_gemma":0.0001681328,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004573728,"about_ca_topic_score_gemma":0.0008498387,"domain_scores_codex":[0.9998469,0.00002096176,0.000004056096,0.00004917376,0.0000522778,0.00002648188],"domain_scores_gemma":[0.9994044,0.0004254238,0.0000486176,0.00002532965,0.00005212829,0.00004398312],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00009484597,0.00004849713,0.001652997,0.00004407342,0.00001463066,0.0000819855,0.00008350403,0.001883312,0.9865302,0.006191649,0.0001340835,0.003240308],"study_design_scores_gemma":[0.00002121709,0.00008128519,0.008038494,0.00000767936,0.00002372689,0.0001560926,0.0001092126,0.06218846,0.924077,0.004148726,0.001119188,0.00002897257],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9799272,0.000390886,0.01277616,0.0002062525,0.00002873486,0.00001176708,0.00004261643,0.00007595868,0.006540399],"genre_scores_gemma":[0.9967997,0.0001427539,0.0007026422,0.00003657105,0.00000562447,0.000006942108,0.0000282956,0.00002355701,0.002253962],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002725414,"threshold_uncertainty_score":0.009117424,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2016712449","doi":"10.1016/s0301-0104(01)00256-7","title":"Coherent control of atom–diatom reactive scattering: isotopic variants of H+H2 in three dimensions","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":18,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"U.S. Department of Defense","keywords":"Chemistry; Diatom; Atom (system on chip); Scattering; Chemical physics; Optics; Oceanography; Physics; Geology","authors":[{"name":"A.G. Abrashkevich","is_ca":true},{"name":"Moshe Shapiro","is_ca":true},{"name":"Paul Brumer","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01478990746245817,"gpt":0.2552350062037042,"spread":0.240445098741246,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005198558,0.0004236862,0.0003018657,0.0002991528,0.0004349496,0.0009089516,0.0007640215,0.000394031,0.002419653],"category_scores_gemma":[0.0007312187,0.0002268127,0.000187348,0.0004057844,0.001260038,0.0008392771,0.0007200372,0.0005053992,0.0001217415],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004549291,"about_ca_system_score_gemma":0.0003132692,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007365184,"about_ca_topic_score_gemma":0.001023006,"domain_scores_codex":[0.9998072,0.00004226313,0.00000588764,0.00004807889,0.00005651846,0.00004021082],"domain_scores_gemma":[0.9995154,0.0002422226,0.00006163745,0.00007204677,0.00004520058,0.00006353838],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001068977,0.0002962469,0.001997135,0.0001346518,0.00009561366,0.000277578,0.0005942364,0.04363272,0.5735462,0.3540747,0.001129646,0.02315234],"study_design_scores_gemma":[0.0002397439,0.0001964175,0.002048797,0.00001108506,0.00003075741,0.0001019438,0.0001962852,0.798973,0.1359416,0.0597858,0.002369714,0.0001049476],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8837994,0.0003364662,0.09500059,0.0005350827,0.0001873074,0.00003488385,0.00006141254,0.000260361,0.01978446],"genre_scores_gemma":[0.9921989,0.00008946593,0.006016515,0.00006094842,0.00002423579,0.00001022457,0.00002114559,0.00005344609,0.001525136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002419653,"threshold_uncertainty_score":0.008094549,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2004771208","doi":"10.1016/s0301-0104(02)01006-6","title":"Low-energy excitations of guest molecules in clathrates and the Boson peak","year":2003,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":17,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"","keywords":"Clathrate hydrate; Chemistry; Molecule; Raman spectroscopy; Crystallography; Chemical physics; Hydrate; Physics; Organic chemistry","authors":[{"name":"G. P. Johari","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008940866938750115,"gpt":0.20733632897989,"spread":0.1983954620411399,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003014122,0.0002598542,0.0004039967,0.0009074835,0.0008091411,0.001146485,0.000567733,0.0006548146,0.004522138],"category_scores_gemma":[0.0005574562,0.0003219441,0.0002463914,0.0004062077,0.001198046,0.0008958162,0.0009590787,0.001047709,0.0002680222],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004994329,"about_ca_system_score_gemma":0.0002335759,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007474358,"about_ca_topic_score_gemma":0.001062627,"domain_scores_codex":[0.9999186,0.00001032631,0.000002295085,0.00001020512,0.00001729203,0.00004138273],"domain_scores_gemma":[0.9997078,0.0001290407,0.0000446079,0.00003288835,0.00001750406,0.00006813774],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002547694,0.0006514405,0.01147517,0.0003176984,0.00007059558,0.001113024,0.001310389,0.02198978,0.4151447,0.5335979,0.001986621,0.009794895],"study_design_scores_gemma":[0.0005986743,0.0005452214,0.05615198,0.0001714085,0.000094064,0.0009526475,0.001900646,0.4133746,0.2339898,0.28828,0.003713431,0.000227485],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9928144,0.0001639375,0.002026431,0.0001736882,0.00003954655,0.000004280394,0.00002946897,0.00009029647,0.004658013],"genre_scores_gemma":[0.9987789,0.00004797346,0.0002663968,0.00002364068,0.000008899648,0.00000428699,0.00002801931,0.00001879263,0.0008231038],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004522138,"threshold_uncertainty_score":0.01512808,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2018808237","doi":"10.1016/s0301-0104(00)00324-4","title":"An investigation of the frontier orbital electron density of the antibacterial agent urotropine by electron momentum spectroscopy","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":17,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Valence electron; Electron; Density functional theory; Valence (chemistry); Atomic orbital; Spectroscopy; Molecular physics; Electron density; Atomic physics; Computational chemistry; Quantum mechanics; Physics; Organic chemistry","authors":[{"name":"I. V. Litvinyuk","is_ca":true},{"name":"J.B. Young","is_ca":true},{"name":"Yajing Zheng","is_ca":true},{"name":"Glyn Cooper","is_ca":true},{"name":"C.E. Brion","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006116122130910117,"gpt":0.2307931494254526,"spread":0.2246770272945424,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000109808,0.0001158559,0.0001398503,0.0003537539,0.0002357248,0.0002241497,0.0003394079,0.0002977602,0.001718504],"category_scores_gemma":[0.0002991203,0.00009483971,0.0001088414,0.0002164807,0.0002282863,0.0003441126,0.0002007403,0.0003172298,0.00009583812],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001546312,"about_ca_system_score_gemma":0.0001188037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005649337,"about_ca_topic_score_gemma":0.0005110993,"domain_scores_codex":[0.9999486,0.00000979267,0.000001067181,0.000006579556,0.00002160804,0.00001229865],"domain_scores_gemma":[0.9999157,0.00004643215,0.00001431218,0.000006360285,0.00001146397,0.000005676193],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007571366,0.0001152746,0.00267288,0.0001308043,0.00002561567,0.0003382984,0.0001372494,0.002724573,0.9674488,0.007713122,0.000282699,0.01765364],"study_design_scores_gemma":[0.00008311441,0.001162957,0.02054307,0.00004356513,0.00005830399,0.0005288383,0.0002482318,0.06088962,0.9102306,0.003102896,0.003080501,0.00002823519],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9905447,0.0009303353,0.003621494,0.00009802038,0.0000164583,0.00001042703,0.00007437707,0.00002514879,0.00467907],"genre_scores_gemma":[0.9980834,0.0003883663,0.0009148577,0.00001509216,0.000004271139,0.000004117421,0.00003824772,0.000003551525,0.0005481986],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001718504,"threshold_uncertainty_score":0.005748928,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4391655146","doi":"10.1016/j.chemphys.2024.112229","title":"Compilation and deciphering MoS2’s physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods","year":2024,"lang":"en","type":"article","venue":"Chemical Physics","topic":"2D Materials and Applications","field":"Materials Science","cited_by":16,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"University of Hail","keywords":"Hybrid functional; Band gap; Lattice constant; Density functional theory; Context (archaeology); Chemistry; Lattice (music); Electronic structure; Computational chemistry; Condensed matter physics; Physics; Quantum mechanics","authors":[{"name":"Najeh Rekik","is_ca":true},{"name":"Ibrahim Isah","is_ca":false},{"name":"Norah A. M. Alsaif","is_ca":false},{"name":"Muath Alkadi","is_ca":false},{"name":"Shehu Aminu Yamusa","is_ca":false},{"name":"Ibtihal M. Alsalamah","is_ca":false},{"name":"A. Shaari","is_ca":false},{"name":"G. Lakshminarayana","is_ca":false},{"name":"Saed Salman","is_ca":true},{"name":"Razif Razali","is_ca":false},{"name":"A. Wahab M. A. Hussein","is_ca":false},{"name":"Umer Farooq","is_ca":false},{"name":"Hira Affan","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.04944676501795506,"gpt":0.3902852289938412,"spread":0.3408384639758861,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008729621,0.001020142,0.001348291,0.0008859247,0.0008938398,0.001024642,0.002037493,0.001404426,0.004047703],"category_scores_gemma":[0.003027776,0.0004605352,0.0006157579,0.001054006,0.000541529,0.001434345,0.0007457415,0.00129219,0.0005149841],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001377583,"about_ca_system_score_gemma":0.002114943,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01557387,"about_ca_topic_score_gemma":0.01772921,"domain_scores_codex":[0.9997018,0.00007674714,0.00001355096,0.00002743718,0.0001281934,0.0000521338],"domain_scores_gemma":[0.998645,0.0006229271,0.00006174421,0.0002730774,0.000337538,0.00005972429],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001774864,0.0001746819,0.002266995,0.0003561151,0.00009114193,0.0001523208,0.00009422522,0.9563826,0.002331297,0.02197236,0.00485525,0.01114548],"study_design_scores_gemma":[0.00003501713,0.00003964518,0.000484674,0.00001595407,0.0000110247,0.00001096678,0.00003793515,0.99366,0.00101235,0.003905962,0.0007772494,0.000009216071],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9079679,0.001629013,0.03761866,0.001240579,0.0002235862,0.0001564984,0.006208878,0.001425711,0.04352919],"genre_scores_gemma":[0.978528,0.0003894517,0.01646815,0.0001509855,0.00005573872,0.0001778682,0.002903863,0.0002895146,0.00103644],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01557387,"threshold_uncertainty_score":0.0309664,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4384701260","doi":"10.1016/j.chemphys.2023.112018","title":"Enhanced DFT predictions of the structural and optoelectronic properties of MoTe2 for high performance photodetection: Application to GW-based functionals and Hubbard U and V corrections","year":2023,"lang":"en","type":"article","venue":"Chemical Physics","topic":"2D Materials and Applications","field":"Materials Science","cited_by":15,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Princess Nourah Bint Abdulrahman University","keywords":"Photodetection; Density functional theory; Band gap; Absorption (acoustics); Hubbard model; GW approximation; Random phase approximation; Condensed matter physics; Refractive index; Chemistry; Physics; Computational physics; Optoelectronics; Optics; Quasiparticle; Quantum mechanics; Photodetector","authors":[{"name":"Shehu Aminu Yamusa","is_ca":false},{"name":"A. Shaari","is_ca":false},{"name":"Norah A. M. Alsaif","is_ca":false},{"name":"Najeh Rekik","is_ca":true},{"name":"G. Lakshminarayana","is_ca":false},{"name":"Ibrahim Isah","is_ca":false},{"name":"Magaji Ismail","is_ca":false},{"name":"Razif Razali","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01098871580342258,"gpt":0.2217673328785826,"spread":0.21077861707516,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005896695,0.0008334205,0.0008229084,0.0008842533,0.0006171012,0.0008082126,0.00131383,0.001263277,0.003350032],"category_scores_gemma":[0.001146071,0.0004018854,0.0005954803,0.0008078302,0.0004458468,0.0007250431,0.0005463744,0.0007953705,0.000594013],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009192764,"about_ca_system_score_gemma":0.001052925,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007173047,"about_ca_topic_score_gemma":0.01069538,"domain_scores_codex":[0.9998212,0.00005483423,0.000007067781,0.0000117858,0.00006034867,0.0000447874],"domain_scores_gemma":[0.9996655,0.0001504374,0.00002051447,0.00005036902,0.00008714904,0.00002606303],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002192693,0.0002039848,0.001507141,0.0003059699,0.00006178048,0.000482085,0.0001050883,0.8801101,0.01450804,0.084907,0.004399475,0.0131901],"study_design_scores_gemma":[0.00001593666,0.00001081779,0.0002867813,0.000008280338,0.000003628122,0.000009219694,0.0000141328,0.9950438,0.001114008,0.003315343,0.0001726993,0.000005304751],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8173555,0.001495374,0.1204093,0.002047818,0.0003944224,0.0001559856,0.001564202,0.001564193,0.05501312],"genre_scores_gemma":[0.9855586,0.0002683416,0.009896612,0.0001867296,0.00005613026,0.0001117502,0.0003595358,0.0001647108,0.003397604],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007173047,"threshold_uncertainty_score":0.01426262,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W3083712416","doi":"10.1016/j.chemphys.2020.110972","title":"First principles studies of electronic, mechanical and optical properties of Cr-doped cubic ZrO2","year":2020,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Semiconductor materials and devices","field":"Engineering","cited_by":15,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Calgary","funders":"National Natural Science Foundation of China","keywords":"Doping; Refractive index; Molar absorptivity; Band gap; Dielectric; Chemistry; Waveguide; Optoelectronics; Condensed matter physics; Materials science; Optics; Physics","authors":[{"name":"Haoyuan Wang","is_ca":false},{"name":"Na Lin","is_ca":true},{"name":"Ran Xu","is_ca":false},{"name":"Yifei Yu","is_ca":false},{"name":"Xian Zhao","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.06161056954050664,"gpt":0.2358973717857167,"spread":0.17428680224521,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003614486,0.0004132212,0.0006529985,0.0003470778,0.0006453831,0.0006622786,0.001134383,0.0005136418,0.001989444],"category_scores_gemma":[0.0005058487,0.0003314852,0.000488809,0.0004091743,0.0007086833,0.0004007845,0.0003339343,0.0006802551,0.0001792246],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008168618,"about_ca_system_score_gemma":0.0005037954,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004129444,"about_ca_topic_score_gemma":0.006887746,"domain_scores_codex":[0.9997246,0.00002994146,0.000004783297,0.00002831256,0.0001579062,0.00005449415],"domain_scores_gemma":[0.9998156,0.00008316965,0.00002277836,0.00003224083,0.00003449363,0.00001177516],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0008695693,0.0005047783,0.003868156,0.001647197,0.0001678015,0.0006996701,0.0007075686,0.08190084,0.7902858,0.1005454,0.002940565,0.01586263],"study_design_scores_gemma":[0.0002873288,0.0006619426,0.01831116,0.0001031054,0.00008573895,0.0004560219,0.0005915846,0.6782251,0.2865539,0.008544113,0.006054219,0.000125778],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9861792,0.0006159982,0.002811256,0.0002514855,0.00003222946,0.00003470746,0.0001188647,0.0001212943,0.009835036],"genre_scores_gemma":[0.9959526,0.0002773027,0.001771647,0.00003795478,0.00001146797,0.00001744915,0.00007766766,0.00002632089,0.001827568],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004129444,"threshold_uncertainty_score":0.008210778,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2003237977","doi":"10.1016/s0301-0104(00)00343-8","title":"Theoretical studies on the electronic spectra of cyclic C6, in D3h and D6h symmetries","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":15,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of New Brunswick","funders":"","keywords":"Chemistry; Singlet state; Atomic physics; Excitation; Spectral line; Ground state; Symmetry (geometry); Triplet state; Spectrum (functional analysis); Benzene; Basis set; Molecule; Excited state; Computational chemistry; Physics; Quantum mechanics; Density functional theory","authors":[{"name":"Fritz Grein","is_ca":true},{"name":"Jan Franz","is_ca":false},{"name":"Michael Hanrath","is_ca":false},{"name":"Sigrid D. Peyerimhoff","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01296779417182271,"gpt":0.2702494925325247,"spread":0.257281698360702,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000862337,0.0008001114,0.000726689,0.002658593,0.001871552,0.001434373,0.001628343,0.001258138,0.01169234],"category_scores_gemma":[0.002044259,0.0003479958,0.0008834132,0.001931521,0.002940794,0.00233591,0.001310376,0.00128567,0.0007496335],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001092775,"about_ca_system_score_gemma":0.0007739128,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001795851,"about_ca_topic_score_gemma":0.002360705,"domain_scores_codex":[0.999699,0.00006432793,0.00001135155,0.00002231613,0.0001185563,0.0000844817],"domain_scores_gemma":[0.999199,0.0003833201,0.00008462761,0.0001554038,0.00009130324,0.00008641327],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00003510734,0.00003265114,0.0001733632,0.00007917442,0.000004889361,0.00006942821,0.0001234106,0.009213863,0.0007536235,0.9858654,0.0008012245,0.002847862],"study_design_scores_gemma":[0.00004365847,0.00002522336,0.0006304872,0.00004777901,0.000008552524,0.0001360544,0.0002027984,0.1156985,0.000895642,0.8803601,0.001926823,0.00002439294],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6295642,0.002916412,0.05085494,0.003200535,0.0003949421,0.00007445776,0.0003219792,0.0001779626,0.3124946],"genre_scores_gemma":[0.9725414,0.001553791,0.00986578,0.0006356394,0.0003526998,0.00008016134,0.0001960619,0.00009047151,0.01468401],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01169234,"threshold_uncertainty_score":0.03911477,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2912675545","doi":"10.1016/j.chemphys.2019.01.026","title":"Analytical solutions of the Poisson-Boltzmann equation within an interstitial electrical double layer in various geometries","year":2019,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Electrostatics and Colloid Interactions","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Calgary","funders":"","keywords":"Electrolyte; Curvature; Poisson–Boltzmann equation; Boltzmann equation; Chemistry; Particle (ecology); Boundary value problem; Poisson's equation; Ion; Mathematical analysis; Physics; Mathematics; Thermodynamics; Geometry; Physical chemistry; Electrode","authors":[{"name":"Hadi Saboorian‐Jooybari","is_ca":true},{"name":"Zhangxin Chen","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02845459420975442,"gpt":0.2721862281734818,"spread":0.2437316339637274,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006331345,0.0005874329,0.0006882436,0.001000941,0.0007315605,0.001348629,0.001531946,0.001222637,0.002721961],"category_scores_gemma":[0.002413673,0.0004776676,0.0005299284,0.000831241,0.00178671,0.001305873,0.001089404,0.0007205296,0.000439177],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001287245,"about_ca_system_score_gemma":0.001173193,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004954886,"about_ca_topic_score_gemma":0.004062097,"domain_scores_codex":[0.9997925,0.00003992959,0.00001087339,0.00003063745,0.00006650038,0.00005953726],"domain_scores_gemma":[0.9992661,0.0003192973,0.0001341957,0.00003877563,0.0001726903,0.00006890993],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001822988,0.0001514936,0.001704307,0.000324211,0.00005088973,0.0006357787,0.0004995592,0.6311914,0.02368921,0.3345156,0.001658578,0.005396636],"study_design_scores_gemma":[0.00002867954,0.00002163754,0.0004004716,0.00002756878,0.00001104173,0.000082254,0.000119811,0.9828017,0.002486652,0.01328402,0.0007025799,0.00003363031],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.7117455,0.003321962,0.1830909,0.001453971,0.0002474527,0.0001538285,0.0004679083,0.0003164606,0.09920204],"genre_scores_gemma":[0.9728466,0.0007670295,0.01399552,0.0001285129,0.000065093,0.00006949557,0.0001294022,0.00008686706,0.01191155],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.004954886,"threshold_uncertainty_score":0.009852052,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2899621528","doi":"10.1016/j.chemphys.2018.11.003","title":"Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations","year":2018,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Photosynthetic Processes and Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":13,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"University of Tsukuba; Canadian Cardiovascular Society","keywords":"Chemistry; Valence (chemistry); Photosystem II; Oxygen atom; Oxygen; Reaction intermediate; Intermediate state; Oxygen-evolving complex; Oxygen evolution; Spectroscopy; Femtosecond; Hydroxide; Crystallography; Photochemistry; Atomic physics; Physical chemistry; Molecule; Physics; Inorganic chemistry; Catalysis; Photosynthesis; Laser","authors":[{"name":"Mitsuo Shoji","is_ca":false},{"name":"Hiroshi Isobe","is_ca":false},{"name":"Koichi Miyagawa","is_ca":false},{"name":"Kizashi Yamaguchi","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008411130463412677,"gpt":0.2415507793677947,"spread":0.233139648904382,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003451908,0.0005367855,0.000393831,0.0003285116,0.0006447939,0.0008210849,0.0009527307,0.0009586867,0.005417234],"category_scores_gemma":[0.0004501756,0.0003092814,0.0005254138,0.0001750101,0.0005502352,0.001080627,0.0007577961,0.0007977772,0.0003795372],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002977895,"about_ca_system_score_gemma":0.0005660157,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006768397,"about_ca_topic_score_gemma":0.0006695715,"domain_scores_codex":[0.999917,0.0000121935,0.000004535848,0.00002543285,0.00001462397,0.00002616825],"domain_scores_gemma":[0.9998722,0.00003096006,0.00002077288,0.0000390774,0.00001130225,0.00002570456],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001911233,0.0006577484,0.01816427,0.001832443,0.0002081959,0.004104299,0.0008660001,0.1689221,0.272171,0.4785882,0.00503076,0.04754385],"study_design_scores_gemma":[0.0007304593,0.0007552173,0.01074239,0.0001381807,0.0003612975,0.001011346,0.0008297805,0.7353013,0.07181168,0.1697462,0.008415919,0.0001562588],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9327408,0.0006772282,0.0419283,0.0007013558,0.0001368001,0.00007398626,0.0004887799,0.0005477184,0.02270502],"genre_scores_gemma":[0.9939035,0.00009890847,0.005341946,0.00003886903,0.000006913051,0.00002759933,0.0001273955,0.0000318004,0.0004231167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005417234,"threshold_uncertainty_score":0.01812243,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4379645145","doi":"10.1016/j.chemphys.2023.111978","title":"Exploring the structural properties and the optoelectronic features of RbPbX3 (X <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si13.svg\" display=\"inline\" id=\"d1e791\"><mml:mo>=</mml:mo></mml:math> Cl, F) perovskite crystals for solar cells solicitations: Showcasing the DFT predictions.","year":2023,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":12,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Princess Nourah Bint Abdulrahman University","keywords":"Perovskite (structure); Band gap; Chemistry; Electronic band structure; Projector; Lattice constant; Lattice (music); Lattice energy; Electronic structure; Crystallography; Algorithm; Condensed matter physics; Crystal structure; Computational chemistry; Physics; Computer science; Quantum mechanics; Optics; Diffraction","authors":[{"name":"Ibtihal M. Alsalamah","is_ca":false},{"name":"A. Shaari","is_ca":false},{"name":"Norah A. M. Alsaif","is_ca":false},{"name":"Shehu Aminu Yamusa","is_ca":false},{"name":"G. Lakshminarayana","is_ca":false},{"name":"Najeh Rekik","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02831339512549129,"gpt":0.231120685120572,"spread":0.2028072899950807,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008502847,0.0001537244,0.0001032595,0.0001149869,0.0002194385,0.0003035389,0.0002742185,0.0002408079,0.005003179],"category_scores_gemma":[0.0001420464,0.00009954228,0.0001400251,0.0001456273,0.0001473215,0.0003181148,0.0001647505,0.0003013386,0.0005369208],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003038314,"about_ca_system_score_gemma":0.0002041759,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00298191,"about_ca_topic_score_gemma":0.005110397,"domain_scores_codex":[0.9999739,0.00000268404,5.824962e-7,0.00000453257,0.00001060561,0.000007638087],"domain_scores_gemma":[0.9999764,0.00001123092,0.000003025111,0.000003029277,0.00000446483,0.000001937429],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005820172,0.0002809869,0.005834466,0.0007492935,0.00005715377,0.000270382,0.0002698895,0.04725606,0.8489512,0.04753134,0.01044468,0.03777253],"study_design_scores_gemma":[0.0001146055,0.0005267982,0.0127875,0.00005026057,0.00006095824,0.0001778985,0.0003851089,0.4755014,0.4896522,0.01161475,0.009092043,0.0000364461],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9714599,0.00103087,0.003792996,0.000837261,0.00001958696,0.00001240595,0.0007805403,0.0001510927,0.0219153],"genre_scores_gemma":[0.996107,0.0004191635,0.001357888,0.00003947936,0.000003773006,0.00001087028,0.0003327749,0.00002234538,0.001706634],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005003179,"threshold_uncertainty_score":0.01673734,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1847327982","doi":"10.1016/j.chemphys.2010.05.009","title":"A classical Master equation approach to modeling an artificial protein motor","year":2010,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Simon Fraser University","funders":"","keywords":"Molecular motor; A priori and a posteriori; Range (aeronautics); Motor protein; Master equation; Chemistry; Molecular dynamics; Langevin equation; Statistical physics; Computer science; Biological system; Physics; Nanotechnology; Computational chemistry; Aerospace engineering; Engineering","authors":[{"name":"Nathan J. Kuwada","is_ca":false},{"name":"Gerhard A. Blab","is_ca":true},{"name":"Heiner Linke","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.05548342782174685,"gpt":0.273460775565018,"spread":0.2179773477432712,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004012602,0.0003661371,0.000751966,0.0004821991,0.0007174296,0.0009174621,0.001899,0.002058049,0.003165224],"category_scores_gemma":[0.0009278773,0.0003851097,0.0007418076,0.0004722922,0.001346766,0.001228842,0.0008295849,0.0009924632,0.0003330714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001450793,"about_ca_system_score_gemma":0.001083828,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00611558,"about_ca_topic_score_gemma":0.004422254,"domain_scores_codex":[0.9998722,0.00003363851,0.000006495067,0.00002038944,0.00005194456,0.00001531477],"domain_scores_gemma":[0.9998308,0.00007472213,0.00001629109,0.00001725671,0.00004120292,0.00001960576],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00002033511,0.00003906425,0.0001612828,0.00005036772,0.00002345352,0.0001087417,0.00007978681,0.6317384,0.003741948,0.3592426,0.0008011268,0.003992873],"study_design_scores_gemma":[0.000005250304,0.000005980046,0.00003224924,0.000001977848,0.000002838091,0.000007025543,0.000005706864,0.9712099,0.0001532559,0.02796964,0.0006012783,0.000004804488],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1089889,0.00109704,0.820203,0.00458819,0.0005691398,0.0001349536,0.0002752963,0.0002993598,0.06384412],"genre_scores_gemma":[0.8252634,0.001050785,0.1265054,0.0008675139,0.0002772716,0.0003715779,0.0001590988,0.0001539914,0.04535112],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00611558,"threshold_uncertainty_score":0.01216,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2112086982","doi":"10.1016/j.chemphys.2005.08.049","title":"A first principles study of the binding of formic acid in catalase complementing high resolution X-ray structures","year":2005,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":12,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada; Barcelona Supercomputing Center; Institució Catalana de Recerca i Estudis Avançats","keywords":"Chemistry; Formic acid; Formate; Ligand (biochemistry); Protonation; Heme; Catalase; Catalysis; Crystallography; Binding energy; Residue (chemistry); Stereochemistry; Ion; Enzyme; Biochemistry; Organic chemistry","authors":[{"name":"Carme Rovira","is_ca":false},{"name":"Mercedes Alfonso‐Prieto","is_ca":false},{"name":"Xevi Biarnés","is_ca":false},{"name":"X. Carpena","is_ca":false},{"name":"Ignacio Fita","is_ca":false},{"name":"P.C. Loewen","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.06800948011167468,"gpt":0.2765092747607708,"spread":0.2084997946490961,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004691106,0.0003292694,0.0008082638,0.000220668,0.0009404487,0.0007703765,0.001438027,0.0008944912,0.002773335],"category_scores_gemma":[0.0007210806,0.0005387613,0.0003764936,0.0002651499,0.0009233148,0.0006114277,0.0004412973,0.00118047,0.0001621987],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009501676,"about_ca_system_score_gemma":0.0006296935,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004373726,"about_ca_topic_score_gemma":0.004877727,"domain_scores_codex":[0.9997793,0.00003772384,0.000003343031,0.00002281732,0.0001112557,0.00004560151],"domain_scores_gemma":[0.9997635,0.0001251303,0.00002144283,0.00003261127,0.00003424797,0.00002310973],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007756241,0.0006826585,0.002561548,0.001198889,0.0001654823,0.001364228,0.001174484,0.4648972,0.3074077,0.1941321,0.005397995,0.02024203],"study_design_scores_gemma":[0.0001074008,0.000229476,0.001939677,0.00001971791,0.0000300218,0.0001617768,0.0002479221,0.9457802,0.04158197,0.008476794,0.001395461,0.0000295867],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9374875,0.001038994,0.03922606,0.001187948,0.00007665096,0.00009204143,0.00009515443,0.0001652566,0.02063039],"genre_scores_gemma":[0.9863886,0.0003930089,0.00956641,0.0001078769,0.00001179028,0.00003355333,0.00005480103,0.00003689863,0.003407022],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004373726,"threshold_uncertainty_score":0.009277761,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2022983311","doi":"10.1016/s0301-0104(02)00453-6","title":"Quantum dynamics of methanol: Hamiltonian, representation and intensity considerations","year":2002,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"Ohio State University","keywords":"Hamiltonian (control theory); Rigid rotor; Rotational–vibrational spectroscopy; Chemistry; Dipole; Torsion (gastropod); Potential energy; Amplitude; Potential energy surface; Molecule; Quantum number; Classical mechanics; Quantum mechanics; Computational chemistry; Physics; Mathematics; Rotor (electric)","authors":[{"name":"Rubin Wang","is_ca":false},{"name":"Indranath Mukhopadhyay","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02100728581053517,"gpt":0.2599958051913601,"spread":0.2389885193808249,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007070974,0.0004104851,0.0006768496,0.0007812034,0.000994664,0.00123195,0.002133585,0.001551135,0.006404249],"category_scores_gemma":[0.001436058,0.0003290796,0.0006808891,0.0006812166,0.001831234,0.003475805,0.001245987,0.001162247,0.0004562815],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009264625,"about_ca_system_score_gemma":0.000776593,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001577736,"about_ca_topic_score_gemma":0.002079083,"domain_scores_codex":[0.9997068,0.00008153977,0.00001304841,0.00003255179,0.0001002422,0.00006580391],"domain_scores_gemma":[0.9995357,0.0001662005,0.00005800933,0.00009665239,0.00006643905,0.00007693832],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00002617444,0.0000379822,0.0001421984,0.00003484995,0.000006937011,0.00007238237,0.0001111955,0.01415815,0.003060036,0.9778628,0.0006046854,0.003882514],"study_design_scores_gemma":[0.00001964653,0.0000279781,0.0005997489,0.00001639942,0.000007210729,0.0001224716,0.0001040549,0.3176269,0.001512545,0.6776766,0.002245665,0.00004076314],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.3811519,0.002393636,0.4867777,0.008130158,0.0008235072,0.0001601199,0.0004777375,0.0003710687,0.1197143],"genre_scores_gemma":[0.9478247,0.001084879,0.03091466,0.0007036044,0.0004554389,0.0001076204,0.0001481845,0.000234568,0.0185263],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.006404249,"threshold_uncertainty_score":0.02142435,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2019505858","doi":"10.1016/s0301-0104(00)00166-x","title":"Solvation structures in three dimensions","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Dalhousie University; Trent University","funders":"","keywords":"Solvation; Chemistry; Amorphous solid; Liquid water; Molecule; Chemical physics; Molecular dynamics; Nanotechnology; Computational chemistry; Thermodynamics; Crystallography; Organic chemistry; Physics; Materials science","authors":[{"name":"Igor M. Svishchev","is_ca":true},{"name":"Alexander Yu. Zassetsky","is_ca":true},{"name":"Peter G. Kusalik","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01255297100347369,"gpt":0.2526817470064031,"spread":0.2401287760029294,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001875846,0.0004661026,0.0006027736,0.0008682159,0.001281518,0.001556692,0.000790998,0.00106342,0.006232712],"category_scores_gemma":[0.0005605075,0.0002887418,0.0002782834,0.0006765994,0.002015213,0.001998232,0.001198965,0.0009369325,0.0005326185],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006922876,"about_ca_system_score_gemma":0.0004180311,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001551049,"about_ca_topic_score_gemma":0.001142574,"domain_scores_codex":[0.9998817,0.00002411664,0.000004567454,0.00001675639,0.00003619308,0.00003660459],"domain_scores_gemma":[0.9997817,0.00006166763,0.00003949055,0.00003438191,0.00003418209,0.00004858236],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0000916458,0.00004881208,0.0003250279,0.00007062549,0.00001360973,0.0001684368,0.0002160546,0.03413541,0.004209761,0.9504571,0.003301655,0.006961857],"study_design_scores_gemma":[0.00007638781,0.00003058292,0.0007112364,0.00001368738,0.00000441462,0.0001032833,0.0001668078,0.162341,0.00131866,0.8324576,0.002741855,0.00003439977],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8477831,0.001465247,0.07601234,0.002760916,0.0001661266,0.00006834408,0.0004900732,0.0006437637,0.07060999],"genre_scores_gemma":[0.9845006,0.0004249298,0.007705786,0.0002674879,0.00006502932,0.00006457164,0.0002166811,0.00009735207,0.006657399],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006232712,"threshold_uncertainty_score":0.02085048,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2890366124","doi":"10.1016/j.chemphys.2018.09.012","title":"Substituent effects on the nonadiabatic dynamics of ethylene: <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si1.gif\" overflow=\"scroll\"><mml:mrow><mml:mi>π</mml:mi></mml:mrow></mml:math>-donors and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si1.gif\" overflow=\"scroll\"><mml:mrow><mml:mi>π</mml:mi></mml:mrow></mml:math>-acceptors","year":2018,"lang":"lv","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"National Research Council Canada; University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Substituent; Chemistry; Conical intersection; Excited state; Computational chemistry; Ab initio; Population; Ground state; Crystallography; Atomic physics; Physics; Stereochemistry","authors":[{"name":"Ryan J. MacDonell","is_ca":true},{"name":"Michael S. Schuurman","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01346125667665106,"gpt":0.236677886806147,"spread":0.2232166301294959,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002381331,0.0002257148,0.0001348123,0.0001841895,0.0004044795,0.0003520823,0.0004093969,0.0002311791,0.04514908],"category_scores_gemma":[0.0005986334,0.0001470329,0.0001290661,0.0001578718,0.0002572293,0.0006458471,0.0002340849,0.0004529998,0.001256445],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004468034,"about_ca_system_score_gemma":0.000432617,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002294176,"about_ca_topic_score_gemma":0.004134964,"domain_scores_codex":[0.9999138,0.000009008933,0.000003351143,0.00001823025,0.00001833187,0.00003728946],"domain_scores_gemma":[0.9997043,0.0001782386,0.00002589337,0.0000330858,0.00002962648,0.00002882648],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.003019294,0.0005118518,0.00445646,0.000968561,0.00006072964,0.0008759428,0.00110165,0.02116547,0.8019403,0.1031366,0.01476945,0.04799369],"study_design_scores_gemma":[0.0002351993,0.0009831251,0.0112961,0.00007929384,0.00008140565,0.0002669405,0.0005112172,0.06183586,0.8922709,0.01092346,0.02136979,0.0001467534],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9503382,0.0007895838,0.005453589,0.000691599,0.0003261002,0.00001924295,0.001064416,0.0004031058,0.04091429],"genre_scores_gemma":[0.9913341,0.0005180989,0.0008129259,0.00009263506,0.00001056467,0.00001288687,0.0003904257,0.0000698529,0.006758535],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04514908,"threshold_uncertainty_score":0.1510388,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2077480901","doi":"10.1016/s0301-0104(01)00552-3","title":"Theoretical study of the hyperfine coupling constants and electron-spin magnetic moments (g-factors) of X2Σ+ alkali-metal radicals XY± (X,Y=Li,Na,K)","year":2002,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Alkali metal; Hyperfine coupling; Hyperfine structure; Radical; Electron; Coupling constant; Spin (aerodynamics); Magnetic moment; Inductive coupling; Metal; Coupling (piping); Atomic physics; Condensed matter physics; Physics; Thermodynamics; Quantum mechanics; Organic chemistry","authors":[{"name":"Pablo J. Bruna","is_ca":true},{"name":"Friedrich Grein","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01904338328472113,"gpt":0.2549691812377688,"spread":0.2359257979530477,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000356546,0.0004155817,0.0005840776,0.0007683314,0.0009979636,0.0004084167,0.001193417,0.0007652708,0.00474251],"category_scores_gemma":[0.0007312036,0.0002617215,0.0003972712,0.0005634401,0.001057012,0.0006236893,0.0003506052,0.0004754392,0.0002383305],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006664323,"about_ca_system_score_gemma":0.0005696394,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002697796,"about_ca_topic_score_gemma":0.003577698,"domain_scores_codex":[0.9999216,0.00002430115,0.000001830191,0.000007928453,0.00002115722,0.0000233615],"domain_scores_gemma":[0.9997756,0.0001149411,0.00002777589,0.00003161633,0.00002936787,0.00002081334],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0004024882,0.0002761087,0.002632981,0.000675186,0.000080278,0.0005682905,0.0004392078,0.4573263,0.01944832,0.4994015,0.002851116,0.01589815],"study_design_scores_gemma":[0.000131742,0.0000980479,0.001579203,0.00002511653,0.00002234311,0.00006596985,0.0001656037,0.9461731,0.003091208,0.04746779,0.001162909,0.00001698405],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9506426,0.0007932956,0.01695552,0.0007484537,0.00003772195,0.00005010948,0.0001485105,0.0001669749,0.03045685],"genre_scores_gemma":[0.9922552,0.0002458732,0.005089086,0.0000775946,0.00002236713,0.00005830152,0.0001012651,0.00002774523,0.002122511],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00474251,"threshold_uncertainty_score":0.01586527,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2072187834","doi":"10.1016/s0301-0104(00)00147-6","title":"A comparison of the oxygen 1s photoabsorption spectra of SO2 and NO2","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Atmospheric chemistry and aerosols","field":"Earth and Planetary Sciences","cited_by":10,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Hypervalent molecule; Triatomic molecule; Molecular orbital; Spectral line; Molecule; Valence electron; Valence (chemistry); Atomic orbital; Atomic physics; Synchrotron radiation; Ionic bonding; Bent molecular geometry; Electron; Molecular physics; Physical chemistry; Ion; Physics","authors":[{"name":"Astrid Jürgensen","is_ca":true},{"name":"Ronald G. Cavell","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01526312871849633,"gpt":0.2281386457747801,"spread":0.2128755170562838,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001360024,0.0001853583,0.0001098529,0.0005004539,0.0002675308,0.0002154456,0.0001560512,0.0003529904,0.002818782],"category_scores_gemma":[0.0002304013,0.0001073395,0.0001663175,0.0003073798,0.0001828728,0.000279241,0.000179203,0.0001557149,0.0002407888],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002125997,"about_ca_system_score_gemma":0.00007909451,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001689808,"about_ca_topic_score_gemma":0.002843224,"domain_scores_codex":[0.9999486,0.000004893074,0.000001657208,0.00001786841,0.00001422433,0.00001273639],"domain_scores_gemma":[0.9998853,0.00004309982,0.00001297671,0.000009619969,0.00003420566,0.00001475103],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001179781,0.00006252372,0.01909442,0.00009472681,0.00003643431,0.0001798635,0.0001452347,0.0004814572,0.9645634,0.0006015145,0.0003893501,0.01317142],"study_design_scores_gemma":[0.0001058526,0.0004984676,0.6378372,0.0000155288,0.00008541751,0.0005392342,0.0003552944,0.006419239,0.3443486,0.0006583319,0.009107339,0.00002950616],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917522,0.0001945515,0.0006918895,0.00005547405,0.00002362191,0.000006980246,0.0002242878,0.00003107118,0.007019967],"genre_scores_gemma":[0.9972333,0.0001269021,0.00055667,0.0000408462,0.00001002089,0.000004637775,0.0004803362,0.00001057587,0.001536756],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002818782,"threshold_uncertainty_score":0.009429812,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2054504231","doi":"10.1016/j.chemphys.2010.01.013","title":"Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid","year":2010,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Division of Chemistry; American Chemical Society Petroleum Research Fund; National Science Foundation","keywords":"Chemistry; Hydrogen bond; Infrared spectroscopy; Hydrogen; Oscillator strength; Low-barrier hydrogen bond; Spectral line; Chemical physics; Infrared; Bond order; Bond length; Molecule; Organic chemistry; Quantum mechanics; Physics","authors":[{"name":"Gabriel Hanna","is_ca":true},{"name":"Eitan Geva","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01308631744418266,"gpt":0.2530704647470253,"spread":0.2399841473028426,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006371691,0.0005161473,0.0008311888,0.0005539807,0.0007945361,0.0007652839,0.00118669,0.001233144,0.003935757],"category_scores_gemma":[0.002114688,0.0004083202,0.0004824593,0.0006093079,0.001229512,0.0007412187,0.0005363912,0.00100145,0.0001620024],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008438998,"about_ca_system_score_gemma":0.001177946,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01565671,"about_ca_topic_score_gemma":0.01632302,"domain_scores_codex":[0.999908,0.00002913246,0.000003455943,0.00001377964,0.00001785343,0.00002774383],"domain_scores_gemma":[0.9981013,0.001514405,0.00008915142,0.0000925319,0.0001151719,0.00008752343],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003839639,0.0002767728,0.003926336,0.00009111117,0.00008434157,0.0002370741,0.00003654371,0.9857597,0.001772758,0.0042381,0.0008240874,0.002369257],"study_design_scores_gemma":[0.00004504959,0.00004246551,0.0005562038,0.000002541288,0.00001245151,0.000007761961,0.00002029895,0.9984753,0.0003530936,0.0004361095,0.0000448334,0.000003871814],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.991726,0.00007966872,0.002609178,0.0003078428,0.00001910613,0.00001804827,0.0003449669,0.00008832579,0.004806676],"genre_scores_gemma":[0.997363,0.00003099939,0.001832567,0.00006067135,0.0000115178,0.00002080062,0.0002401487,0.0000192284,0.0004210178],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01565671,"threshold_uncertainty_score":0.03113115,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2030051386","doi":"10.1016/s0301-0104(02)00638-9","title":"Microwave spectra of, and ab initio calculations for, the Ne2–NH3 van der Waals trimer","year":2002,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; University of Alberta","keywords":"Chemistry; van der Waals force; Trimer; Van der Waals strain; Ab initio; Spectral line; Computational chemistry; Ab initio quantum chemistry methods; Van der Waals radius; Microwave; Van der Waals molecule; Molecular physics; Atomic physics; Molecule; Dimer; Organic chemistry; Physics; Quantum mechanics","authors":[{"name":"Jennifer van Wijngaarden","is_ca":true},{"name":"Wolfgang Jäger","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02142093933901814,"gpt":0.2548399763726883,"spread":0.2334190370336701,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003229096,0.0002748818,0.0003458879,0.000495212,0.0005254496,0.0003185357,0.0009768058,0.000579086,0.008638394],"category_scores_gemma":[0.0006804781,0.0002351255,0.000268865,0.0005792527,0.0005718973,0.0004942566,0.0003645874,0.0007614615,0.0007092651],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005307847,"about_ca_system_score_gemma":0.0001856333,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001763517,"about_ca_topic_score_gemma":0.001554038,"domain_scores_codex":[0.999861,0.00001843544,0.000004245493,0.00001903506,0.00004829536,0.00004890456],"domain_scores_gemma":[0.9997202,0.0001286973,0.00003582244,0.0000439399,0.00004651156,0.00002483412],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.003421788,0.0005444819,0.009597607,0.001274359,0.0002179747,0.001131659,0.002038366,0.2423405,0.5539851,0.1300475,0.0130773,0.04232332],"study_design_scores_gemma":[0.0002806458,0.0003300446,0.02438737,0.00005124604,0.00006895087,0.0003317167,0.000691728,0.7898793,0.1636229,0.01481425,0.005425693,0.000116281],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9669198,0.0004660433,0.008178784,0.0003536297,0.00005623428,0.00001807652,0.0003127005,0.000239974,0.02345468],"genre_scores_gemma":[0.996142,0.00008845052,0.001213092,0.00005887626,0.00001531154,0.00001714324,0.0003132068,0.00004169071,0.002110278],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008638394,"threshold_uncertainty_score":0.02889824,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2054549494","doi":"10.1016/j.chemphys.2006.06.036","title":"Vibronic coupling in square planar complexes of palladium(II) and platinum(II)","year":2006,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Montréal","funders":"","keywords":"Chemistry; Palladium; Vibronic coupling; Planar; Platinum; Vibronic spectroscopy; Density functional theory; Coupling (piping); Transition metal; Spectral line; Molecule; Molecular physics; Computational chemistry; Atomic physics; Quantum mechanics; Physics; Materials science; Catalysis; Organic chemistry","authors":[{"name":"Etienne Lanthier","is_ca":true},{"name":"Christian Reber","is_ca":true},{"name":"Tucker Carrington","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01603595342005167,"gpt":0.2410902398603977,"spread":0.225054286440346,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000154039,0.0001746066,0.0002279765,0.0003399043,0.0004850656,0.0004444397,0.000601596,0.000379562,0.004176053],"category_scores_gemma":[0.00039997,0.0002202951,0.0001078383,0.0002619802,0.0005569829,0.000358692,0.0006850798,0.00044065,0.0001624185],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002321926,"about_ca_system_score_gemma":0.0001278495,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003756774,"about_ca_topic_score_gemma":0.0006215604,"domain_scores_codex":[0.9998808,0.00001852243,0.000003682137,0.00002635379,0.0000320912,0.00003856295],"domain_scores_gemma":[0.9998981,0.00004431767,0.0000177215,0.00001168098,0.000007290681,0.00002083858],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001408281,0.0001949257,0.002711658,0.0007055169,0.00008512078,0.00137811,0.001418285,0.01024335,0.8455856,0.1013287,0.001866803,0.03307365],"study_design_scores_gemma":[0.000571384,0.001903212,0.0365204,0.0001222031,0.0001376707,0.002865382,0.001901345,0.1291124,0.7484787,0.06076375,0.01741516,0.0002084284],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9821945,0.0006853438,0.005939305,0.0002670232,0.00007392387,0.00001231398,0.00002877812,0.00006222794,0.01073671],"genre_scores_gemma":[0.998372,0.0001253184,0.0003535625,0.0000510721,0.00000558752,0.000009549757,0.00002269808,0.000007674557,0.001052594],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004176053,"threshold_uncertainty_score":0.01397026,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2798719566","doi":"10.1016/j.chemphys.2018.08.034","title":"Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection","year":2018,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Conical intersection; Photoexcitation; Vibronic coupling; Chemistry; Ultrashort pulse; Geometric phase; Intersection (aeronautics); Conical surface; Coupling (piping); Laser; Phase (matter); Molecular physics; Molecule; Atomic physics; Physics; Quantum mechanics; Excited state; Geometry; Materials science","authors":[{"name":"Hazem Daoud","is_ca":true},{"name":"Loïc Joubert-Doriol","is_ca":true},{"name":"Artur F. Izmaylov","is_ca":true},{"name":"R. J. Dwayne Miller","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.140773265024781,"gpt":0.3220729935235951,"spread":0.1812997284988141,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005373081,0.0004036801,0.0004504349,0.0005108492,0.00077631,0.001119422,0.00148219,0.0008938454,0.005376466],"category_scores_gemma":[0.001334611,0.0003328498,0.0002359155,0.0004737818,0.001338216,0.001751141,0.001020003,0.001383496,0.0002950229],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004740956,"about_ca_system_score_gemma":0.0004630792,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004240953,"about_ca_topic_score_gemma":0.0004966186,"domain_scores_codex":[0.9998292,0.00003887604,0.000004501396,0.00003348184,0.00005508715,0.00003887837],"domain_scores_gemma":[0.9994948,0.0002117363,0.00006240913,0.0001273862,0.00003277253,0.00007082505],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005357271,0.0008038799,0.003493589,0.0002486646,0.00003807192,0.0003305816,0.0007462339,0.08609733,0.1877927,0.7039392,0.001510714,0.01446332],"study_design_scores_gemma":[0.00008074084,0.0002768389,0.001242845,0.00003034619,0.00001413305,0.00008913798,0.000350977,0.7634563,0.03177671,0.20175,0.0008870171,0.00004495512],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9265285,0.00009657938,0.05661297,0.0004102618,0.00003091912,0.00004788354,0.0001459024,0.0003188112,0.01580812],"genre_scores_gemma":[0.995445,0.00003014028,0.004044234,0.00002717212,0.000002987948,0.0000169247,0.00004357503,0.00002584494,0.0003641621],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005376466,"threshold_uncertainty_score":0.01798606,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2089627057","doi":"10.1016/s0301-0104(01)00375-5","title":"An investigation of the HOMO frontier orbital electron density distributions of NH3, the methylamines and NF3 using DFT and electron momentum spectroscopy","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"Killam Trusts; Australian National University","keywords":"Chemistry; Electron; Density functional theory; Basis set; Electronic correlation; Spectroscopy; Molecular orbital; Electron density; Molecular physics; Atomic physics; Computational chemistry; Physics; Molecule; Quantum mechanics","authors":[{"name":"C.E. Brion","is_ca":true},{"name":"J.B. Young","is_ca":true},{"name":"I. V. Litvinyuk","is_ca":true},{"name":"Glyn Cooper","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009387623141074582,"gpt":0.2599016937756122,"spread":0.2505140706345376,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001877083,0.0001994502,0.0002045217,0.0003281444,0.000490389,0.0002109973,0.0004924841,0.0003705183,0.004346994],"category_scores_gemma":[0.0003703603,0.0001027439,0.0002030437,0.0003021997,0.0002549457,0.0003515187,0.0002276633,0.0002352699,0.0001981736],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000420646,"about_ca_system_score_gemma":0.0002506729,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007001054,"about_ca_topic_score_gemma":0.01021092,"domain_scores_codex":[0.9999471,0.000005628943,0.000001255733,0.00000427092,0.00002372449,0.00001800267],"domain_scores_gemma":[0.999871,0.00006734084,0.00001059568,0.0000147979,0.00002610648,0.00001010715],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.003265536,0.0003998573,0.0303825,0.001221092,0.0001573074,0.001880834,0.001145757,0.2112142,0.5972595,0.08291872,0.004384236,0.06577045],"study_design_scores_gemma":[0.0001016202,0.0006477155,0.03326311,0.00005693227,0.00005004816,0.0004622575,0.0007841908,0.7808223,0.1711741,0.009543209,0.003044167,0.00005031553],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.98396,0.0001952589,0.004076841,0.00008257689,0.000009728613,0.00001432093,0.000292619,0.00005724627,0.01131143],"genre_scores_gemma":[0.9980245,0.00007870484,0.0009738564,0.00001721616,0.000001409953,0.00001140982,0.0001656431,0.000007808353,0.0007193872],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007001054,"threshold_uncertainty_score":0.01454216,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1519985825","doi":"10.1016/j.chemphys.2008.05.012","title":"Determination of and from potential energy functions for diatomic molecules","year":2008,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa","funders":"","keywords":"Homonuclear molecule; Diatomic molecule; Chemistry; Potential energy; Morse potential; Rydberg formula; Molecule; Atomic physics; Computational chemistry; Physics","authors":[{"name":"Y. P. Varshni","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006089279986075865,"gpt":0.1992722181566764,"spread":0.1931829381706005,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008522134,0.0009003356,0.0008019907,0.001863636,0.0007653619,0.0009159623,0.001196957,0.001243331,0.001702224],"category_scores_gemma":[0.003591634,0.0004508526,0.0003790903,0.001443039,0.0005865912,0.00154331,0.0008213519,0.001239352,0.0004784076],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007241816,"about_ca_system_score_gemma":0.0007718315,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001242253,"about_ca_topic_score_gemma":0.001395692,"domain_scores_codex":[0.9997465,0.00008334446,0.00001021995,0.00003002521,0.0000921941,0.00003768348],"domain_scores_gemma":[0.9994625,0.0003001058,0.0000441735,0.00009000116,0.00006590852,0.00003725426],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002822773,0.0001453427,0.004085439,0.0006971894,0.0001203501,0.0004031239,0.0002584762,0.3723488,0.04981897,0.4343171,0.002803763,0.1347192],"study_design_scores_gemma":[0.00002540619,0.00002763961,0.001748845,0.00005436101,0.00002593145,0.0002103215,0.00008901761,0.7698009,0.02743377,0.1949522,0.005572016,0.00005965648],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4120887,0.00573696,0.5567627,0.000619893,0.0001713514,0.0001539348,0.001223685,0.0007256662,0.02251712],"genre_scores_gemma":[0.9265985,0.001293489,0.06899418,0.00009798568,0.0000357307,0.0001285887,0.0007517707,0.0002198807,0.001879872],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.001863636,"threshold_uncertainty_score":0.005694509,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2067433101","doi":"10.1016/s0301-0104(00)00015-x","title":"Kinetic energy distributions for O− and metastable CO* produced by electron stimulated desorption from condensed CO2","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Metastability; Chemistry; Kinetic energy; Ion; Dissociation (chemistry); Desorption; Atomic physics; Electron; Excitation; Crystallite; Analytical Chemistry (journal); Physical chemistry; Crystallography; Adsorption; Physics","authors":[{"name":"M. Tronc","is_ca":false},{"name":"R. Azria","is_ca":false},{"name":"Y. Le Coat","is_ca":false},{"name":"Pierre Cloutier","is_ca":true},{"name":"Léon Sanche","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009890279151856605,"gpt":0.2488340070786146,"spread":0.238943727926758,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003052657,0.0004112876,0.0003246651,0.0008553438,0.000598521,0.0008044772,0.0006395787,0.0004556748,0.007710777],"category_scores_gemma":[0.0006094635,0.0002536241,0.0002238368,0.0005711045,0.0009486579,0.0006718958,0.0004018598,0.0005096117,0.0005132483],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008194771,"about_ca_system_score_gemma":0.000210303,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001293308,"about_ca_topic_score_gemma":0.001271702,"domain_scores_codex":[0.999853,0.00001065627,0.000005580449,0.00003616802,0.00003066658,0.00006386109],"domain_scores_gemma":[0.9995279,0.0003125912,0.00004737076,0.00002463528,0.00004406509,0.00004331657],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.01034319,0.0003942033,0.01798599,0.000333583,0.000118382,0.001487962,0.0007245034,0.0154622,0.9310242,0.01128618,0.00144694,0.009392702],"study_design_scores_gemma":[0.0004131933,0.0006271114,0.06180499,0.00002514124,0.00005966555,0.0006110767,0.0007503061,0.09501239,0.8341098,0.004150948,0.00232749,0.0001078537],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993834,0.0001865611,0.001350044,0.00005669308,0.00001170758,0.000005970451,0.0002797745,0.00006321712,0.004211998],"genre_scores_gemma":[0.9981892,0.0000538174,0.0001745589,0.00001350146,0.000003956477,0.000007251615,0.0003551991,0.00002803189,0.001174552],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007710777,"threshold_uncertainty_score":0.02579516,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1965738139","doi":"10.1016/s0301-0104(00)00247-0","title":"Orbital imaging for the valence shell of sulphur dioxide: comparison of EMS measurements with near Hartree–Fock limit and density functional theory","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Atomic physics; Valence (chemistry); Density functional theory; Atomic orbital; Basis set; Ionization energy; Binding energy; Valence electron; Open shell; Hartree–Fock method; Ionization; Electron; Molecular physics; Physics; Computational chemistry; Quantum mechanics; Ion","authors":[{"name":"Renfei Feng","is_ca":true},{"name":"Yasuhiro Sakai","is_ca":true},{"name":"Glyn Cooper","is_ca":true},{"name":"C.E. Brion","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0287469270967045,"gpt":0.2548440206162803,"spread":0.2260970935195758,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003230488,0.000211118,0.0001622745,0.0004640677,0.0003067126,0.0003271068,0.0003817434,0.0003526883,0.001641986],"category_scores_gemma":[0.0005280521,0.0001403527,0.0001455215,0.0002813079,0.0004348947,0.0005172404,0.0004720962,0.0002756481,0.0001563215],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002556284,"about_ca_system_score_gemma":0.0001443262,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001239912,"about_ca_topic_score_gemma":0.001482463,"domain_scores_codex":[0.9999005,0.00002364999,0.000003630173,0.00001920488,0.00003441989,0.00001860779],"domain_scores_gemma":[0.9997911,0.00008246722,0.00004290008,0.00002689448,0.00004053761,0.00001610443],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009507758,0.00006876508,0.01009218,0.0001927412,0.00003557131,0.0002813454,0.0004001448,0.003077091,0.9644622,0.004670459,0.0004576456,0.01531102],"study_design_scores_gemma":[0.00005862407,0.0002966813,0.04349555,0.00003444491,0.00005498216,0.000435037,0.0004192351,0.06253587,0.8879899,0.002433974,0.002205719,0.00004008427],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9835333,0.0002676656,0.01113099,0.0001491685,0.00001371545,0.0000147761,0.000171568,0.000083317,0.004635493],"genre_scores_gemma":[0.9963237,0.0001199476,0.002833117,0.00002528581,0.00000713187,0.000005862278,0.00008556242,0.00001511295,0.0005844067],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001641986,"threshold_uncertainty_score":0.005492985,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2059874525","doi":"10.1016/s0301-0104(01)00488-8","title":"Central atom 1s photoabsorption spectra of nitrogen and phosphorus AX3 (A=N, P and X=F, H) molecules","year":2001,"lang":"en","type":"article","venue":"Chemical Physics","topic":"X-ray Spectroscopy and Fluorescence Analysis","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; National Science Foundation","keywords":"Chemistry; Synchrotron radiation; Beamline; Molecule; Absorption spectroscopy; Spectral line; Electronic structure; Atom (system on chip); Molecular orbital; Absorption (acoustics); Synchrotron; Nitrogen; Spectroscopy; XANES; Atomic physics; Crystallography; Computational chemistry; Physics; Optics","authors":[{"name":"Astrid Jürgensen","is_ca":true},{"name":"Ronald G. Cavell","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006078139027128749,"gpt":0.2208950807461455,"spread":0.2148169417190167,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001581107,0.0001841547,0.0002411921,0.0004586359,0.000824096,0.0002480997,0.0004677157,0.0005794269,0.01215617],"category_scores_gemma":[0.0002588387,0.0001112879,0.0001219732,0.0004876607,0.0005739877,0.0003435821,0.0003376475,0.0004236937,0.0004127434],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000521147,"about_ca_system_score_gemma":0.0001776459,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001565591,"about_ca_topic_score_gemma":0.001967553,"domain_scores_codex":[0.9999309,0.000008022231,0.000001621013,0.00001452285,0.00002254033,0.00002242718],"domain_scores_gemma":[0.9998242,0.00009021362,0.00002827067,0.00001113357,0.00002447726,0.0000217555],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00131809,0.00009738515,0.004610169,0.0002556412,0.00003008967,0.0005360103,0.0006624078,0.001420827,0.9705492,0.007068608,0.001668359,0.01178323],"study_design_scores_gemma":[0.0001274964,0.0009353649,0.09455116,0.00006891537,0.00005455035,0.000912268,0.0009843999,0.02180177,0.8660015,0.00404724,0.01046237,0.00005297068],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9884802,0.0002960663,0.0006230622,0.0001429718,0.00001123248,0.000005844445,0.0001910458,0.00005573095,0.01019393],"genre_scores_gemma":[0.9964469,0.0001647691,0.0004132761,0.00006240638,0.000005900641,0.000007620226,0.0002960929,0.00001482075,0.00258819],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01215617,"threshold_uncertainty_score":0.0406664,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2967121772","doi":"10.1016/j.chemphys.2019.110472","title":"Physico-chemical investigation of catalytic oxidation sites in 4%Rh/CeO2 catalysts prepared by impregnation and deposition–precipitation methods","year":2019,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Université Libanaise; Agence Universitaire de la Francophonie; Université du Littoral Côte d'Opale","keywords":"Catalysis; Calcination; Electron paramagnetic resonance; Thermogravimetry; Differential scanning calorimetry; Precipitation; Temperature-programmed reduction; Inorganic chemistry; Scanning electron microscope; Coprecipitation; Phase (matter); Materials science; Chemistry; Nuclear chemistry; Organic chemistry; Nuclear magnetic resonance","authors":[{"name":"Madona Labaki","is_ca":false},{"name":"Samer Aouad","is_ca":false},{"name":"Sara Hany","is_ca":false},{"name":"Cynthia Abou Serhal","is_ca":false},{"name":"Edmond Abi‐Aad","is_ca":false},{"name":"Antoine Aboukaı̈s","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01213686371160847,"gpt":0.286109024220532,"spread":0.2739721605089235,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002435633,0.0001772714,0.0001841008,0.0002942858,0.0001803135,0.0002952973,0.0002879454,0.0003321363,0.001009107],"category_scores_gemma":[0.0004732443,0.000212258,0.0002129515,0.0001722658,0.0003866925,0.0001710421,0.0001045578,0.0003481562,0.0001810569],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002039502,"about_ca_system_score_gemma":0.0001233214,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001237837,"about_ca_topic_score_gemma":0.001269037,"domain_scores_codex":[0.9998184,0.00001895458,0.00001379965,0.00004255119,0.00007368282,0.00003263748],"domain_scores_gemma":[0.9998177,0.00006314736,0.0000351198,0.00002137922,0.00004873776,0.00001393379],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001332004,0.00001110333,0.0003968816,0.00004713719,0.000008249723,0.00004347603,0.00002414686,0.00009319955,0.998419,0.00004995459,0.00001641766,0.0007572866],"study_design_scores_gemma":[0.000007749658,0.00005873908,0.006785857,0.000002640271,0.00001110454,0.00007865593,0.00002810121,0.0005946869,0.9920425,0.0000169048,0.000369528,0.000003455422],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971482,0.0004526705,0.0008712559,0.00002042497,0.000009227068,0.00001040276,0.0001413869,0.00001778717,0.001328623],"genre_scores_gemma":[0.9986718,0.0001153956,0.0004317688,0.000008867907,0.000003745102,0.000006319044,0.0001150721,0.000009827475,0.0006373894],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001237837,"threshold_uncertainty_score":0.003375769,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2012262823","doi":"10.1016/j.chemphys.2011.01.009","title":"Study of two-photon resonant four-wave sum mixing in xenon in the spectral region of 105–110nm","year":2011,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Laser-Matter Interactions and Applications","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Calgary","funders":"Government of Alberta","keywords":"Chemistry; Ionization; Xenon; Mixing (physics); Atomic physics; Four-wave mixing; Photon; Radiation; Spectral line; Laser; Analytical Chemistry (journal); Physics; Optics; Nonlinear optics","authors":[{"name":"Watheq Al‐Basheer","is_ca":true},{"name":"M. Hedén","is_ca":true},{"name":"Z.J. Cai","is_ca":true},{"name":"Yujun Shi","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.06851014123473417,"gpt":0.2826566504157665,"spread":0.2141465091810324,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002134923,0.0002168941,0.0002621063,0.0002509493,0.0005322673,0.0004075275,0.0004277067,0.0002238735,0.002701735],"category_scores_gemma":[0.0002863237,0.0001623731,0.0002175963,0.0003332591,0.0005598187,0.0004631545,0.0003382689,0.000312747,0.000140474],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003570011,"about_ca_system_score_gemma":0.0003083439,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001637375,"about_ca_topic_score_gemma":0.001310693,"domain_scores_codex":[0.999913,0.00001413367,0.000001992849,0.00001928058,0.00002628255,0.00002536989],"domain_scores_gemma":[0.9998407,0.00009491648,0.00003018265,0.000009672648,0.00001226405,0.00001220861],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0009335105,0.0001418266,0.005045109,0.000284203,0.00006187442,0.0008782789,0.0008027947,0.00883337,0.9596086,0.01824198,0.0002593454,0.004909155],"study_design_scores_gemma":[0.0001556593,0.0009633829,0.03226434,0.00004649518,0.0001006258,0.0005939216,0.001143294,0.2014222,0.7563126,0.003555986,0.003370179,0.0000713902],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955677,0.0001916614,0.001164811,0.00005482265,0.000006712923,0.000006660581,0.00002261555,0.00001724132,0.002967685],"genre_scores_gemma":[0.9987373,0.00007638961,0.0002912469,0.000005864325,0.000002910111,0.000004464642,0.00002401048,0.000007449217,0.0008504564],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002701735,"threshold_uncertainty_score":0.00903821,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2070091229","doi":"10.1016/s0301-0104(99)00341-9","title":"Temperature-independent onset of diffusion control during polymerization in a diepoxide–amine mixture by dielectric measurements","year":2000,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Ionic liquids properties and applications","field":"Chemical Engineering","cited_by":9,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Diffusion; Polymerization; Dielectric; Amine gas treating; Polymer chemistry; Photochemistry; Organic chemistry; Chemical engineering; Thermodynamics; Polymer; Optoelectronics","authors":[{"name":"J. G. McAnanama","is_ca":true},{"name":"D. A. Wasylyshyn","is_ca":true},{"name":"G. P. Johari","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.00587165389512562,"gpt":0.1967187615590896,"spread":0.190847107663964,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002931461,0.0004029576,0.0002715983,0.0002508374,0.0003059676,0.000481596,0.0004066679,0.0003649293,0.001120397],"category_scores_gemma":[0.0007063591,0.0003108594,0.0001723537,0.000290193,0.0006523656,0.0007330267,0.0002793012,0.001356283,0.0002684524],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004020004,"about_ca_system_score_gemma":0.0001435756,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004218394,"about_ca_topic_score_gemma":0.0004896566,"domain_scores_codex":[0.9997974,0.0000201847,0.000009520749,0.00006439165,0.00005859992,0.00004980805],"domain_scores_gemma":[0.9994332,0.0002616284,0.000136873,0.00004286023,0.00006781741,0.00005753037],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001194007,0.00001525727,0.0001606459,0.00002582209,0.000003688039,0.00003870707,0.00005516215,0.0000286347,0.9986129,0.00007414608,0.00002599275,0.0008397088],"study_design_scores_gemma":[0.000008154018,0.00004672095,0.001181224,0.000002487084,0.000004831156,0.00005755221,0.00001342712,0.0006579439,0.997738,0.00001824465,0.0002663411,0.000005032406],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9909589,0.0006207868,0.006534299,0.0001191555,0.00003833961,0.00001960949,0.0002170596,0.0001258274,0.001365999],"genre_scores_gemma":[0.9958844,0.0005492512,0.00236047,0.00004138671,0.00002090371,0.00002357577,0.0001560393,0.00004652003,0.0009174161],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001120397,"threshold_uncertainty_score":0.003748059,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2043423146","doi":"10.1016/j.chemphys.2013.04.007","title":"All-optical poling and second harmonic generation diagnostic of layer-by-layer assembled photoactive polyelectrolytes","year":2013,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Polymer Surface Interaction Studies","field":"Materials Science","cited_by":8,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Poling; Polyelectrolyte; Layer by layer; Chromophore; Chemistry; Copolymer; Second-harmonic generation; Maleic acid; Layer (electronics); Chemical engineering; Polymer chemistry; Nanotechnology; Materials science; Optics; Optoelectronics; Organic chemistry; Ferroelectricity; Polymer; Physics","authors":[{"name":"Gabriela Aldea-Nunzi","is_ca":true},{"name":"Siu‐Wai Chan","is_ca":false},{"name":"Ka Yan Kitty Man","is_ca":false},{"name":"Jean‐Michel Nunzi","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02833453001632015,"gpt":0.2735176543932151,"spread":0.2451831243768949,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001664425,0.0002942925,0.0001892625,0.0002746471,0.0001630318,0.0003911561,0.0002926577,0.0003230156,0.0008802703],"category_scores_gemma":[0.000321201,0.0002279292,0.0001517309,0.0002204739,0.0004037211,0.0003373943,0.0002090594,0.0004436894,0.0001757992],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002467146,"about_ca_system_score_gemma":0.0001373662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003949601,"about_ca_topic_score_gemma":0.0007619939,"domain_scores_codex":[0.9998536,0.00002015375,0.000007030537,0.00003488878,0.00004376175,0.00004060305],"domain_scores_gemma":[0.9998153,0.00007525567,0.00003894188,0.00002272656,0.00002535004,0.00002236261],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00005127653,0.000006001157,0.0001731631,0.00001422112,0.000003185519,0.0000248678,0.00001940951,0.00004374752,0.9990692,0.00004109229,0.00001025795,0.000543567],"study_design_scores_gemma":[0.000003662526,0.00003081624,0.001015375,9.870745e-7,0.000004658887,0.00002421294,0.00001191187,0.0006126168,0.9981645,0.00001330816,0.0001161305,0.000001941513],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962102,0.0002655577,0.002489637,0.00003226463,0.00001168835,0.000007634663,0.00005600396,0.00005019176,0.0008768325],"genre_scores_gemma":[0.9970277,0.0001611758,0.00193042,0.00002181278,0.000004704002,0.000008153375,0.00005257073,0.00001640174,0.0007770566],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008802703,"threshold_uncertainty_score":0.002944827,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2091721422","doi":"10.1016/j.chemphys.2011.06.016","title":"Application of magnetically-perturbed time-dependent density functional theory to magnetic circular dichroism. IV. The influence of zero-field splitting on the spectra of S&gt;1/2 molecules","year":2011,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Zero (linguistics); Spectral line; Vibrational circular dichroism; Molecule; Density functional theory; Circular dichroism; Magnetic field; Molecular physics; Magnetic circular dichroism; Nuclear magnetic resonance; Computational chemistry; Physics; Quantum mechanics; Crystallography","authors":[{"name":"Michael Seth","is_ca":true},{"name":"Tom Ziegler","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007862754619924597,"gpt":0.2021148134664502,"spread":0.1942520588465256,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005828225,0.0003621696,0.0005522259,0.000503976,0.000564033,0.0004391027,0.0009190408,0.0006466724,0.002223209],"category_scores_gemma":[0.001866969,0.0002849624,0.0004656678,0.0003494962,0.0008959507,0.0005238154,0.0008874387,0.001009126,0.0003247784],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006004872,"about_ca_system_score_gemma":0.0005124051,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001864828,"about_ca_topic_score_gemma":0.002895363,"domain_scores_codex":[0.9997076,0.0001593841,0.00001126288,0.00001545777,0.00008055022,0.00002563532],"domain_scores_gemma":[0.9997007,0.0001494461,0.00001986469,0.00005766135,0.00004687249,0.00002546457],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0003196227,0.0004016379,0.0007986571,0.001015934,0.0001749521,0.0006395582,0.0004422312,0.2966179,0.1314918,0.4935477,0.009981543,0.06456845],"study_design_scores_gemma":[0.00003748397,0.00004657092,0.0004633168,0.0000251128,0.000009907552,0.00007055315,0.000028016,0.9360594,0.01033905,0.05161479,0.001276867,0.00002900672],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4353343,0.007940252,0.4870389,0.006351641,0.001710368,0.0004181061,0.000515807,0.001465995,0.05922461],"genre_scores_gemma":[0.9048664,0.001818081,0.08730718,0.0004034258,0.0001479495,0.0001955136,0.0001453302,0.0002120871,0.00490406],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002223209,"threshold_uncertainty_score":0.007437408,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1988344598","doi":"10.1016/j.chemphys.2009.10.001","title":"Correlated few-electron dynamics in intense laser fields","year":2009,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Laser-Matter Interactions and Applications","field":"Physics and Astronomy","cited_by":8,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa","funders":"Engineering and Physical Sciences Research Council","keywords":"Chemistry; Dynamics (music); Electron; Laser; Chemical physics; Physics; Nuclear physics; Optics","authors":[{"name":"Suren Sukiasyan","is_ca":true},{"name":"Chris McDonald","is_ca":true},{"name":"C. Van Vlack","is_ca":true},{"name":"Carlos F. Destefani","is_ca":true},{"name":"Charles Varin","is_ca":true},{"name":"Misha Ivanov","is_ca":false},{"name":"Thomas Brabec","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005654357391417039,"gpt":0.2464693563904264,"spread":0.2408149989990093,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006036579,0.0003859164,0.0009400786,0.001059297,0.001419915,0.001632716,0.001204864,0.0009200638,0.004441265],"category_scores_gemma":[0.002303369,0.0004440507,0.0003700026,0.0008650144,0.002298718,0.0023442,0.001016553,0.001311523,0.0002664571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001010251,"about_ca_system_score_gemma":0.0006454204,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00138118,"about_ca_topic_score_gemma":0.001509278,"domain_scores_codex":[0.9998417,0.00003532262,0.000005375995,0.00001852562,0.00005172946,0.00004734015],"domain_scores_gemma":[0.9990203,0.0004771407,0.0001207597,0.00009886193,0.00008511353,0.0001976859],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003586098,0.0002970302,0.002672918,0.0001315145,0.00006869325,0.0008743967,0.0004809033,0.156691,0.01877033,0.812326,0.001716959,0.00561172],"study_design_scores_gemma":[0.000114365,0.00005886212,0.004006908,0.00002048539,0.00002012044,0.0001839697,0.0001104868,0.7978262,0.002559834,0.1941993,0.0008419762,0.00005753402],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9285618,0.001235351,0.03702658,0.001370084,0.0002969436,0.00006388298,0.0001024622,0.0003005769,0.0310422],"genre_scores_gemma":[0.9920105,0.000275674,0.002378951,0.0001132952,0.00007813916,0.00003659746,0.00005043769,0.00004867942,0.005007789],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004441265,"threshold_uncertainty_score":0.01485747,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2011671725","doi":"10.1016/j.chemphys.2008.07.010","title":"Theoretical study of the contribution of vibrational motions to nuclear shielding constants","year":2008,"lang":"en","type":"article","venue":"Chemical Physics","topic":"Atomic and Subatomic Physics Research","field":"Physics and Astronomy","cited_by":8,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"University of Isfahan; University of Waterloo","keywords":"Chemistry; Electromagnetic shielding; Computational chemistry; Atomic physics; Chemical physics; Quantum mechanics; Physics","authors":[{"name":"Hassan Sabzyan","is_ca":false},{"name":"Behnaz Buzari","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0192363966397051,"gpt":0.2744332485439787,"spread":0.2551968519042735,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001063995,0.00122621,0.001301561,0.001683077,0.001458621,0.0009315051,0.002503818,0.001641417,0.005773928],"category_scores_gemma":[0.003548507,0.0005280441,0.001031004,0.0008327418,0.002408154,0.001595259,0.00117731,0.00154982,0.0005655804],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001032569,"about_ca_system_score_gemma":0.0008673304,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002813659,"about_ca_topic_score_gemma":0.002269784,"domain_scores_codex":[0.9995962,0.0001326053,0.000007895199,0.00003634501,0.0001486645,0.00007825876],"domain_scores_gemma":[0.9986975,0.0008721179,0.00007857157,0.0001306035,0.0001463319,0.00007488034],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00003550426,0.00006772013,0.0002455199,0.0001515928,0.00002306119,0.0001618503,0.0001026372,0.1595666,0.002332826,0.8328084,0.0008425452,0.003661738],"study_design_scores_gemma":[0.00003380999,0.00001390267,0.0002755646,0.00002168938,0.00001238845,0.00006629018,0.00004476722,0.7808116,0.0006436966,0.2172514,0.0008095584,0.00001537975],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.3960809,0.00464437,0.3227437,0.005924573,0.0007467563,0.0001198226,0.0002457389,0.0004719845,0.2690221],"genre_scores_gemma":[0.9614438,0.001503812,0.01964135,0.0004800154,0.0005242642,0.0001299404,0.0001202803,0.0001940918,0.01596253],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005773928,"threshold_uncertainty_score":0.01931572,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4391055484","doi":"10.1016/j.chemphys.2024.112197","title":"Machine learning assisted prediction of copper-based catalysts towards carbon dioxide electroreduction into carbon monoxide","year":2024,"lang":"en","type":"article","venue":"Chemical Physics","topic":"CO2 Reduction Techniques and Catalysts","field":"Energy","cited_by":7,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa","funders":"National Natural Science Foundation of China","keywords":"Copper; Catalysis; Carbon monoxide; Chemistry; Inorganic chemistry; Electrolyte; Carbon dioxide; Selectivity; Substrate (aquarium); Chemical engineering; Electrode; Physical chemistry; Organic chemistry","authors":[{"name":"Shuaichong Wei","is_ca":false},{"name":"Yuhong Luo","is_ca":false},{"name":"Kai Zhang","is_ca":true},{"name":"Zisheng Zhang","is_ca":true},{"name":"Guihua Liu","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01220713213707005,"gpt":0.2425019305446816,"spread":0.2302947984076115,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005691525,0.0006890742,0.0004655826,0.001031755,0.0003042099,0.0007330739,0.0005843251,0.0006326712,0.0008552904],"category_scores_gemma":[0.001969298,0.0002279385,0.0003665462,0.0004913201,0.0001636416,0.000259093,0.0001865037,0.0005235159,0.0003654014],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009299116,"about_ca_system_score_gemma":0.0004425744,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01268873,"about_ca_topic_score_gemma":0.01203386,"domain_scores_codex":[0.9998172,0.00004348011,0.00001278239,0.00005272405,0.00004063202,0.00003322411],"domain_scores_gemma":[0.9991853,0.0004670985,0.00006023424,0.00003484747,0.0002259097,0.00002652348],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00193579,0.0009180873,0.04462319,0.0003150841,0.0003457868,0.0002732855,0.00006381625,0.7280696,0.04892429,0.0009142568,0.00464865,0.1689682],"study_design_scores_gemma":[0.00000944992,0.00005001273,0.002327113,0.000003057883,0.00001876738,0.000009882722,0.000006773181,0.9817349,0.0155423,0.00009443186,0.0001981283,0.00000517807],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9818986,0.000734516,0.01359815,0.0001658382,0.00006732906,0.00003363291,0.0004176769,0.0007048126,0.00237941],"genre_scores_gemma":[0.9965714,0.0001076775,0.002232001,0.000009417972,0.000008929897,0.000009470436,0.0002963808,0.00001212757,0.0007526192],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01268873,"threshold_uncertainty_score":0.02522975,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}