{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":122,"total_is_capped":false,"direct_labels_cover":0,"predictions_cover":122,"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":"80b79036558d","filters":{"venue":"Molecular Physics"}},"results":[{"id":"W3145469487","doi":"10.1080/00268970110089108","title":"A molecular dynamics method for simulations in the canonical ensemble","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Thermodynamics and Statistical Mechanics","field":"Physics and Astronomy","cited_by":539,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"National Research Council Canada","funders":"","keywords":"Canonical ensemble; Molecular dynamics; Microcanonical ensemble; Degrees of freedom (physics and chemistry); Momentum (technical analysis); Grand canonical ensemble; Constant (computer programming); Statistical ensemble; Physics; Distribution (mathematics); Statistical physics; Canonical coordinates; Space (punctuation); Potential energy; Total energy; Classical mechanics; Thermodynamics; Quantum mechanics; Mathematics; Phase space; Mathematical analysis; Computer science","authors":[],"retraction":null,"screen_n_in":null,"score":{"opus":0.01358559016510466,"gpt":0.2936620157937804,"spread":0.2800764256286757,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001231186,0.0009722803,0.001122286,0.001129868,0.001287917,0.001185181,0.002211124,0.001599191,0.008644293],"category_scores_gemma":[0.002442313,0.0006482182,0.001191991,0.001447274,0.0008376624,0.001542901,0.001259569,0.003009403,0.003704596],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008277817,"about_ca_system_score_gemma":0.001584055,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00255421,"about_ca_topic_score_gemma":0.002568481,"domain_scores_codex":[0.9992191,0.0002697932,0.00003432097,0.00009507065,0.0003380972,0.00004365431],"domain_scores_gemma":[0.9993978,0.0001950093,0.00003297908,0.0001401015,0.0001671588,0.00006695639],"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":[0.0000904378,0.0001251813,0.0005959166,0.0004142579,0.0002127514,0.0002292649,0.0001825915,0.1528988,0.01097403,0.6387257,0.0272762,0.1682749],"study_design_scores_gemma":[0.000100395,0.00005215903,0.0002270907,0.0000663867,0.00003073845,0.0001866861,0.00001158469,0.8200786,0.002541308,0.08444492,0.09219781,0.00006236471],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.00104829,0.0005403578,0.9918922,0.0002205748,0.0002491636,0.0002114884,0.0002031193,0.00150105,0.004133658],"genre_scores_gemma":[0.01586827,0.0005241909,0.9769572,0.0001464557,0.0001046308,0.001337931,0.0002356644,0.0006631745,0.004162397],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.008644293,"threshold_uncertainty_score":0.02891803,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2255808592","doi":"10.1080/00268976.2016.1165296","title":"Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility","year":2016,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Chemical and Physical Properties in Aqueous Solutions","field":"Chemical Engineering","cited_by":113,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ontario Institute of Technology; University of Guelph","funders":"","keywords":"Aqueous solution; Solubility; Electrolyte; Convergence (economics); Molecular dynamics; Force field (fiction); Molecule; Work (physics)","authors":[],"retraction":null,"screen_n_in":null,"score":{"opus":0.009266448785031557,"gpt":0.2362643075182428,"spread":0.2269978587332112,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002056006,0.001096065,0.001510913,0.0009883577,0.0005242417,0.001489485,0.002000567,0.001670798,0.002966609],"category_scores_gemma":[0.003711727,0.0006369113,0.0008619895,0.002015488,0.0009964402,0.002596592,0.0008530554,0.001875638,0.001102118],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001169025,"about_ca_system_score_gemma":0.001417438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004307943,"about_ca_topic_score_gemma":0.003535942,"domain_scores_codex":[0.9995547,0.0001803347,0.00003820691,0.00005469131,0.0001427015,0.00002923977],"domain_scores_gemma":[0.9984869,0.0009462001,0.00009253278,0.00008877269,0.0003152257,0.00007050266],"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":[0.0002285928,0.0002249408,0.001955846,0.008277309,0.0003036529,0.0002449435,0.0004577619,0.4148879,0.01490752,0.2063601,0.01396546,0.338186],"study_design_scores_gemma":[0.000157663,0.0002361439,0.0008655939,0.001394144,0.0001584682,0.0001977556,0.0001421503,0.5891161,0.0156981,0.09072407,0.3011544,0.0001554395],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.06094577,0.5029382,0.3843661,0.0106485,0.002120046,0.0001762619,0.0008151056,0.001695199,0.0362949],"genre_scores_gemma":[0.1493901,0.5640953,0.2728702,0.001545765,0.001798649,0.0005313958,0.001462014,0.0010382,0.007268479],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.004307943,"threshold_uncertainty_score":0.01087332,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2171832877","doi":"10.1080/00268970050080546","title":"Reduced multireference coupled cluster method IV: open-shell systems","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":73,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"","keywords":"Coupled cluster; Open shell; Multireference configuration interaction; Cluster (spacecraft); Diatomic molecule; Atomic physics; Chemistry; Unitary state; Unitary group; Computational chemistry; Physics; Quantum mechanics; Basis set; Density functional theory; Molecule; Computer science","authors":[{"name":"Xiangzhu Li","is_ca":true},{"name":"Josef Paldus","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01760442889295322,"gpt":0.2995417469499585,"spread":0.2819373180570053,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001541855,0.001173953,0.003256748,0.0009499313,0.001444316,0.001739737,0.00547339,0.002437534,0.006050271],"category_scores_gemma":[0.003043805,0.0005690793,0.001110118,0.002333762,0.001077114,0.001127263,0.00225625,0.003175924,0.002280186],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001289793,"about_ca_system_score_gemma":0.003275292,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01057098,"about_ca_topic_score_gemma":0.008865022,"domain_scores_codex":[0.9986304,0.0007555582,0.00004886533,0.00009530904,0.0003775342,0.00009240296],"domain_scores_gemma":[0.9987479,0.0004941081,0.00006773938,0.0002664264,0.0003449045,0.00007878624],"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":[0.0001406326,0.0001284759,0.0002322812,0.0006128608,0.0002176666,0.0003739396,0.0001374907,0.7843676,0.002267207,0.1461644,0.01416812,0.05118932],"study_design_scores_gemma":[0.0000309271,0.00002143167,0.00007831279,0.00001768389,0.00001548801,0.00001795659,0.00001469087,0.9759897,0.0003547628,0.01902429,0.004407915,0.00002690396],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01024574,0.001973465,0.9708189,0.0007981545,0.0003944973,0.0004959315,0.001077508,0.001839386,0.01235648],"genre_scores_gemma":[0.2012715,0.002196191,0.7732967,0.0006298418,0.0002701679,0.003490802,0.001970137,0.001211136,0.01566353],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.01057098,"threshold_uncertainty_score":0.02101886,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1967261560","doi":"10.1080/00268970500130183","title":"Fermi-Amaldi model for exchange-correlation: atomic excitation energies from orbital energy differences","year":2005,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":70,"is_retracted":false,"has_abstract":true,"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":"Fermi Gamma-ray Space Telescope; Excitation; Atomic physics; Physics; Work (physics); Fermi gas; Eigenvalues and eigenvectors; Chemistry; Quantum mechanics","authors":[{"name":"Paul W. Ayers","is_ca":true},{"name":"Robert C. Morrison","is_ca":false},{"name":"Robert G. Parr","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01295888459093343,"gpt":0.2362861157306844,"spread":0.223327231139751,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002156867,0.000668876,0.001134977,0.0017459,0.0009956558,0.001096357,0.002820869,0.001913762,0.00263058],"category_scores_gemma":[0.007226138,0.0002569373,0.000730862,0.001276247,0.001821146,0.003691285,0.001354081,0.001479436,0.0005146408],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001308758,"about_ca_system_score_gemma":0.0009362681,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002088088,"about_ca_topic_score_gemma":0.001639324,"domain_scores_codex":[0.9991258,0.0002670702,0.00003110252,0.00006728057,0.0003951302,0.000113668],"domain_scores_gemma":[0.998632,0.0006809827,0.00007905292,0.0003852399,0.0001612447,0.00006147149],"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":[0.00007262426,0.00003195344,0.0004676829,0.00006028559,0.00001378761,0.0001253086,0.0001160018,0.1731527,0.003064657,0.8122038,0.0007027357,0.009988479],"study_design_scores_gemma":[0.000008202344,0.00001417267,0.0001688535,0.000008064351,0.000002937337,0.00007181717,0.00002002938,0.667139,0.0009535817,0.331127,0.0004708917,0.00001540128],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1944494,0.001168268,0.7667333,0.001364961,0.0003367551,0.00007628574,0.0001685251,0.000836743,0.03486567],"genre_scores_gemma":[0.9419924,0.0004552651,0.05198595,0.0001710861,0.0000750054,0.0001202354,0.000121001,0.000218056,0.004861022],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002820869,"threshold_uncertainty_score":0.01140672,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2070951586","doi":"10.1080/00268970802220112","title":"Reorganization free energies and quantum corrections for a model electron self-exchange reaction: comparison of polarizable and non-polarizable solvent models","year":2008,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":66,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Concordia University","funders":"","keywords":"Polarizability; Polarizable continuum model; Chemistry; Water model; Aqueous solution; Solvent effects; Solvation; Free electron model; Physics; Ion; Thermodynamics; Computational chemistry; Chemical physics; Electron; Solvent; Molecular dynamics; Quantum mechanics; Physical chemistry; Molecule","authors":[{"name":"Jochen Blumberger","is_ca":false},{"name":"Guillaume Lamoureux","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01579549788407586,"gpt":0.2533831910103768,"spread":0.2375876931263009,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004202843,0.000541075,0.0005567765,0.0007144701,0.0004031572,0.0004593022,0.0008997309,0.0006891543,0.002797344],"category_scores_gemma":[0.001402726,0.0002272246,0.0005647067,0.0005695946,0.0006004537,0.0007040979,0.0004425921,0.0004042225,0.0002393781],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007199929,"about_ca_system_score_gemma":0.000414311,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003283941,"about_ca_topic_score_gemma":0.002095589,"domain_scores_codex":[0.9998702,0.00002161286,0.00000671743,0.00001463652,0.00004410196,0.0000427307],"domain_scores_gemma":[0.9994655,0.0003043844,0.00005172267,0.00007798526,0.00005736754,0.00004313076],"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":[0.0001946686,0.000165302,0.00409918,0.00008890634,0.00004129091,0.0003980645,0.0001142532,0.951326,0.02384585,0.01422036,0.0003651851,0.005140973],"study_design_scores_gemma":[0.0000211419,0.00004759236,0.001394733,0.000004955342,0.000009568785,0.0000479419,0.00004576756,0.9894443,0.005694947,0.003094763,0.0001759889,0.00001824404],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.987016,0.0001717949,0.009264461,0.0001666775,0.00001683976,0.00001804987,0.0001021785,0.0001044471,0.003139603],"genre_scores_gemma":[0.9981646,0.00008285457,0.0008226014,0.00001005606,0.000004042419,0.00001998011,0.00008193335,0.00003803292,0.0007759354],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003283941,"threshold_uncertainty_score":0.009358048,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1997828580","doi":"10.1080/00268970110041218","title":"The multipole polarizabilities and hyperpolarizabilities of the water molecule in liquid state: an<i>ab initio</i>study","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":64,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Dalhousie University","funders":"","keywords":"Polarizability; Hyperpolarizability; Dipole; Multipole expansion; Quadrupole; Chemistry; Molecular physics; Ab initio; Molecule; Ground state; Electric field; Atomic physics; Computational chemistry; Physics; Quantum mechanics; Organic chemistry","authors":[{"name":"Anna V. Gubskaya","is_ca":true},{"name":"Peter G. Kusalik","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006569065240064915,"gpt":0.2306068561392602,"spread":0.2240377908991952,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002316115,0.0003888321,0.0005256552,0.0004125414,0.0003758526,0.0003638092,0.0006037307,0.0004040319,0.001213304],"category_scores_gemma":[0.000466361,0.0001799744,0.0002859353,0.0007006433,0.0005089935,0.0005231897,0.000366966,0.0005718485,0.0001957921],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000249238,"about_ca_system_score_gemma":0.0002997881,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00188483,"about_ca_topic_score_gemma":0.001162111,"domain_scores_codex":[0.9999208,0.00002231082,0.000002917692,0.000009634882,0.00003027432,0.0000140612],"domain_scores_gemma":[0.9997861,0.0001043473,0.00002754563,0.00002331004,0.00004472897,0.000014085],"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":[0.0003284818,0.0004349785,0.005822477,0.0009808708,0.000143988,0.001225142,0.0005266956,0.4926307,0.4312845,0.02730813,0.0009906775,0.03832319],"study_design_scores_gemma":[0.00003299244,0.000285607,0.001750646,0.00002440001,0.00002264773,0.0001181493,0.0001343022,0.8924387,0.1014993,0.00249336,0.001174624,0.00002528532],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9833951,0.0007097819,0.01289528,0.00009742245,0.000009855435,0.00001863215,0.00007309817,0.00008491748,0.002715808],"genre_scores_gemma":[0.990334,0.0005810453,0.008256719,0.00001635764,0.00001209117,0.00002970987,0.000128919,0.00002638396,0.0006149885],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00188483,"threshold_uncertainty_score":0.004058957,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2069284504","doi":"10.1080/00268976.2014.897396","title":"Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles","year":2014,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Nuclear reactor physics and engineering","field":"Engineering","cited_by":55,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Polytechnique Montréal","funders":"","keywords":"Molten salt; Coolant; Heat capacity; Molten salt reactor; Thermodynamics; Lithium fluoride; Viscosity; Thermal conductivity; Nuclear fuel; Chemistry; Heat transfer; Materials science; Nuclear engineering; Inorganic chemistry; Nuclear chemistry","authors":[{"name":"Aïmen E. Gheribi","is_ca":true},{"name":"Dario Corradini","is_ca":false},{"name":"Leslie Dewan","is_ca":false},{"name":"Patrice Chartrand","is_ca":true},{"name":"Christian Simon","is_ca":false},{"name":"P.A. Madden","is_ca":false},{"name":"Mathieu Salanne","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01372906666492304,"gpt":0.1536019899115944,"spread":0.1398729232466714,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005430171,0.0007895232,0.0008296414,0.0006426016,0.0004478756,0.0006050431,0.001017859,0.001543575,0.001482884],"category_scores_gemma":[0.001443954,0.0003983188,0.0005594968,0.0004210586,0.0005984945,0.0008285089,0.0002985681,0.0008699641,0.0003944502],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007085013,"about_ca_system_score_gemma":0.0008773641,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002570088,"about_ca_topic_score_gemma":0.002284221,"domain_scores_codex":[0.9998592,0.00003173226,0.000004053772,0.00001151342,0.00006690348,0.00002665006],"domain_scores_gemma":[0.999611,0.000241526,0.00003685198,0.00003750013,0.00005572678,0.00001745662],"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":[0.00006258956,0.00004048573,0.0005130398,0.0002905506,0.00001780673,0.000131246,0.00007832811,0.9616733,0.01195982,0.01923832,0.0003604777,0.005633954],"study_design_scores_gemma":[0.00001337202,0.00001930677,0.0002250039,0.00001137677,0.000003851344,0.00001267542,0.00000991492,0.9940633,0.001934711,0.003458169,0.000241622,0.000006719323],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7493799,0.001371595,0.2207819,0.0005386634,0.00009532515,0.0002002041,0.0008442631,0.000537353,0.02625074],"genre_scores_gemma":[0.9635452,0.000845022,0.03226677,0.00005911247,0.00002857168,0.0002640885,0.0003932083,0.0001857866,0.00241227],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002570088,"threshold_uncertainty_score":0.005140603,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2094826950","doi":"10.1080/01449290500102169","title":"Multi-reference Brillouin–Wigner coupled-cluster method with a general model space","year":2005,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":49,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"","keywords":"Brillouin zone; Dimension (graph theory); Generalization; Space (punctuation); Cluster (spacecraft); Coupled cluster; Physics; Statistical physics; Computer science; Mathematics; Quantum mechanics; Mathematical analysis; Molecule; Pure mathematics","authors":[{"name":"Jiřı́ Pittner","is_ca":false},{"name":"Xiangzhu Li","is_ca":true},{"name":"Josef Paldus","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01577977105046521,"gpt":0.2857007029601059,"spread":0.2699209319096407,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009675301,0.0009283818,0.001744718,0.0007471307,0.001428424,0.0009864917,0.00594777,0.002419712,0.004310392],"category_scores_gemma":[0.0009563544,0.0004789629,0.001289786,0.00195715,0.001092219,0.001382309,0.0009210953,0.001900236,0.002263724],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001191524,"about_ca_system_score_gemma":0.002066888,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006266573,"about_ca_topic_score_gemma":0.00871561,"domain_scores_codex":[0.9994426,0.0002044318,0.00002049324,0.00004913888,0.0002283648,0.00005492388],"domain_scores_gemma":[0.9994912,0.0001041394,0.00003192269,0.0002050533,0.0001164342,0.00005118502],"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":[0.0001250092,0.000191145,0.0003384802,0.0005006649,0.0001011678,0.0004229341,0.0001296077,0.6726578,0.01370809,0.2790218,0.007023918,0.02577933],"study_design_scores_gemma":[0.00002763904,0.00003234865,0.00006532327,0.000008950889,0.00001018677,0.00003797373,0.00001130926,0.9795877,0.002621128,0.01282835,0.004727557,0.00004148958],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.04755535,0.001183977,0.9329695,0.0008686719,0.0002686066,0.0003794333,0.001120374,0.001204655,0.01444933],"genre_scores_gemma":[0.2198615,0.001040435,0.7656898,0.0005089832,0.0001193893,0.001989296,0.001089327,0.0006737938,0.009027392],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.006266573,"threshold_uncertainty_score":0.01441973,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2005252805","doi":"10.1080/00268970500460390","title":"A Hamilton–Jacobi type equation for computing minimum potential energy paths","year":2006,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":40,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"","keywords":"Potential energy surface; Maxima and minima; Potential energy; Hamilton–Jacobi equation; Transition state; Energy profile; Physics; Type (biology); Function (biology); Reaction coordinate; Path (computing); Energy (signal processing); Isomerization; Computational chemistry; Molecule; Chemistry; Mathematics; Quantum mechanics; Classical mechanics; Computer science; Mathematical analysis","authors":[{"name":"Bijoy K. Dey","is_ca":true},{"name":"Paul W. Ayers","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007690403370911743,"gpt":0.229662821895143,"spread":0.2219724185242312,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001133796,0.0009931372,0.0007912849,0.001003668,0.0007833231,0.0008434581,0.002153557,0.001376614,0.006970001],"category_scores_gemma":[0.002741033,0.0006989188,0.00105486,0.001115719,0.000781375,0.001511003,0.0008280607,0.001946384,0.001465281],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001112333,"about_ca_system_score_gemma":0.002083545,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004061796,"about_ca_topic_score_gemma":0.003740822,"domain_scores_codex":[0.999656,0.00009476409,0.00001977772,0.00004600519,0.0001470255,0.00003643075],"domain_scores_gemma":[0.9991191,0.0005385831,0.00004919559,0.00007966385,0.000177985,0.00003556697],"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":[0.00003428705,0.00004302636,0.0005272718,0.0002184932,0.00004380219,0.0001226758,0.00009812325,0.7506351,0.004726303,0.187374,0.003497685,0.05267927],"study_design_scores_gemma":[0.000009465814,0.000009225127,0.00007729166,0.00001135954,0.000003980689,0.00001995956,0.00001021494,0.9608103,0.0007241549,0.03523105,0.003079835,0.00001309945],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.002318456,0.0001231769,0.993996,0.0001012366,0.00004050076,0.00004656197,0.00009194502,0.0001824669,0.003099561],"genre_scores_gemma":[0.08701908,0.000497274,0.9028599,0.0001149124,0.00006366184,0.000570758,0.0003492804,0.0005644394,0.007960692],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.006970001,"threshold_uncertainty_score":0.02331692,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2134511659","doi":"10.1080/00268970009483363","title":"Rotational spectra of the Kr-H<sub>2</sub>O van der Waals complex","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"","keywords":"van der Waals force; Isotopomers; Quadrupole; Chemistry; Hyperfine structure; Atomic physics; Intermolecular force; Spectral line; Rotational spectroscopy; Van der Waals strain; Van der Waals molecule; Van der Waals radius; Coupling constant; Molecular physics; Molecule; Physics","authors":[{"name":"Jennifer van Wijngaarden","is_ca":true},{"name":"Wolfgang Jäger","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006153639811754081,"gpt":0.2193056942726884,"spread":0.2131520544609343,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001191127,0.00017919,0.0001469278,0.0001921868,0.0002334544,0.0002130455,0.0002442191,0.0001910424,0.002973766],"category_scores_gemma":[0.0003792128,0.0001049895,0.00006740089,0.0003134467,0.0002586426,0.0002652386,0.0001745067,0.0003111425,0.0002346981],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002019493,"about_ca_system_score_gemma":0.00008454175,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00102732,"about_ca_topic_score_gemma":0.0008724295,"domain_scores_codex":[0.9998848,0.00001195717,0.000002946427,0.00002497896,0.00004458883,0.00003067663],"domain_scores_gemma":[0.9998208,0.00005327263,0.00005365794,0.00001175666,0.00003376192,0.00002687429],"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":[0.0001936452,0.00003193271,0.002688505,0.00003683096,0.00002208457,0.00007452392,0.0001589571,0.0006928471,0.9913662,0.0008456031,0.000264615,0.003624157],"study_design_scores_gemma":[0.0001133228,0.0005998142,0.09208846,0.00001280543,0.0000473776,0.0004597211,0.000577173,0.01904812,0.877821,0.001110581,0.00804777,0.00007384685],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972452,0.0001625056,0.001274969,0.00005071255,0.000005543857,0.000003985223,0.00008819897,0.0000145752,0.001154183],"genre_scores_gemma":[0.998296,0.00008807534,0.0005411016,0.00002982025,0.00000383958,0.000005518291,0.0002818992,0.00001613513,0.0007375753],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002973766,"threshold_uncertainty_score":0.009948254,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2167346812","doi":"10.1080/00268970701519754","title":"Dual-basis self-consistent field methods: 6-31G<b>*</b> calculations with a minimal 6-4G primary basis","year":2007,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":33,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Division of Chemistry; Health Sciences Centre Foundation; National Science Foundation","keywords":"Basis (linear algebra); Density functional theory; Valence (chemistry); Basis function; Polarization (electrochemistry); Quantum mechanics; Computational chemistry; Chemistry; Physics; Atomic physics; Mathematics; Geometry; Physical chemistry","authors":[{"name":"Ryan P. Steele","is_ca":false},{"name":"Martin Head‐Gordon","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009383458077620843,"gpt":0.2809540730019886,"spread":0.2715706149243677,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008892252,0.0005252085,0.001160885,0.0008976908,0.0008952249,0.0007023544,0.00177542,0.0008769041,0.005788706],"category_scores_gemma":[0.001204339,0.0003441577,0.0004934312,0.0006809582,0.0005010095,0.0006893855,0.0008992527,0.0008308732,0.0008960582],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005913221,"about_ca_system_score_gemma":0.001439939,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001929839,"about_ca_topic_score_gemma":0.002723972,"domain_scores_codex":[0.9997131,0.0001231239,0.000007823027,0.00001614571,0.0001017708,0.00003791784],"domain_scores_gemma":[0.999605,0.000125575,0.00002241136,0.00007904501,0.0001277066,0.00004028367],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0009573041,0.0004616069,0.001413645,0.0007474685,0.00008453226,0.0004110169,0.0001741222,0.7394804,0.02845323,0.1493736,0.008234874,0.07020812],"study_design_scores_gemma":[0.0000944097,0.00007613451,0.0002688636,0.00001865804,0.000009628641,0.0000228193,0.00002623679,0.9795492,0.004261922,0.01393314,0.001726634,0.00001232478],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4697492,0.0008344714,0.4983313,0.0009460246,0.0002133032,0.0003175599,0.0009919668,0.0008742004,0.0277419],"genre_scores_gemma":[0.7357563,0.0002908793,0.2567331,0.0001632518,0.00003087208,0.0006366052,0.000856244,0.0002251497,0.005307545],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005788706,"threshold_uncertainty_score":0.01936519,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2131756987","doi":"10.1080/00268970009483289","title":"The behaviour of liquid alkanes near interfaces","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":30,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"","keywords":"Butane; Octane; Wax; Absorption (acoustics); Alkane; Diffusion; Substrate (aquarium); Layer (electronics); Materials science; Chemical physics; Chemical engineering; Chemistry; Analytical Chemistry (journal); Hydrocarbon; Organic chemistry; Thermodynamics; Composite material","authors":[{"name":"Paul E. Smith","is_ca":true},{"name":"R. M. Lynden‐Bell","is_ca":true},{"name":"William R. Smith","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008296329608269214,"gpt":0.2208894208306929,"spread":0.2125930912224236,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001293333,0.0004704132,0.0004329488,0.0004435748,0.0005799546,0.0008775489,0.0005047024,0.0006317325,0.002619955],"category_scores_gemma":[0.0007957337,0.0004488202,0.000399063,0.0003204272,0.0006263565,0.001096322,0.0004117309,0.000729874,0.0002906096],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007390872,"about_ca_system_score_gemma":0.000530943,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00523482,"about_ca_topic_score_gemma":0.002746972,"domain_scores_codex":[0.9999001,0.000008103774,0.000004169465,0.00001720506,0.00002763524,0.00004278544],"domain_scores_gemma":[0.9997585,0.0001031401,0.00003585231,0.00001519792,0.00004771798,0.00003954428],"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":[0.0007796737,0.000250487,0.01412355,0.0002572391,0.0001565279,0.001168971,0.0007883325,0.5876899,0.3807764,0.007265515,0.0003755306,0.006367844],"study_design_scores_gemma":[0.0001692117,0.0006385362,0.00993467,0.0000599664,0.00009850779,0.0001525233,0.0006575437,0.8544496,0.1296442,0.002375857,0.001744112,0.00007535113],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962018,0.00008364333,0.00141251,0.00003377879,0.000005523319,0.00001125273,0.00009260645,0.0000287871,0.002130009],"genre_scores_gemma":[0.9976546,0.0001293857,0.001077167,0.00001756584,0.000002266866,0.00001777707,0.0003002124,0.00003046204,0.0007706935],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00523482,"threshold_uncertainty_score":0.0104087,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1979726231","doi":"10.1080/00268970110118240","title":"The magnetic field dependence of the electron spin polarization in consecutive spin correlated radical pairs in type I photosynthetic reaction centres","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Photosynthetic Processes and Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":29,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Brock University","funders":"","keywords":"Zeeman effect; Singlet state; Chemistry; Electron paramagnetic resonance; Triplet state; Photosynthetic reaction centre; Photosystem II; Zeeman energy; Magnetic field; Polarization (electrochemistry); Field strength; Spin polarization; Electron; Molecular physics; Atomic physics; Physics; Photochemistry; Electron transfer; Nuclear magnetic resonance; Excited state; Photosynthesis; Physical chemistry","authors":[{"name":"Yu. E. Kandrashkin","is_ca":true},{"name":"W. Vollmann","is_ca":false},{"name":"D. Stehlik","is_ca":false},{"name":"К. М. Салихов","is_ca":false},{"name":"Art van der Est","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005048808756444931,"gpt":0.2149617950501796,"spread":0.2099129862937347,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002068368,0.0001638192,0.0001380034,0.0001939646,0.0001442791,0.0001909016,0.0002075027,0.0001754783,0.0007913068],"category_scores_gemma":[0.0005374615,0.0001146434,0.000104669,0.0001149539,0.0002158803,0.0002005275,0.0001158434,0.0002882149,0.0001404997],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001755162,"about_ca_system_score_gemma":0.0000764783,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003761619,"about_ca_topic_score_gemma":0.0002637755,"domain_scores_codex":[0.9999171,0.00001498492,0.000004028831,0.00002144936,0.0000239096,0.00001843453],"domain_scores_gemma":[0.9995734,0.0001524789,0.0001027373,0.00003113044,0.00007996974,0.00006025999],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00009464265,0.000009099104,0.0004926455,0.00001987052,0.000003940388,0.00002559982,0.00001665962,0.00008299653,0.9986187,0.00002801896,0.00001162831,0.00059619],"study_design_scores_gemma":[0.00002208913,0.0004749847,0.03002112,0.000006859549,0.0000129915,0.0001694302,0.00006855583,0.001460185,0.9673309,0.0000856952,0.0003343176,0.0000127278],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989078,0.000180619,0.0005502062,0.00001043026,0.000002782152,0.000004300693,0.00004029241,0.00001347119,0.0002900832],"genre_scores_gemma":[0.9995183,0.00006600309,0.0002202192,0.000006148472,0.000002487232,0.000003592212,0.00006494617,0.000003700914,0.0001146612],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007913068,"threshold_uncertainty_score":0.002647221,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2045187639","doi":"10.1080/00268970210162682","title":"Dipole oscillator strength properties and dispersion energies for CI <sub>2</sub>","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":25,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Western University","funders":"","keywords":"Oscillator strength; Dipole; Isotropy; Atomic physics; Dispersion (optics); Excitation; Molecular physics; Physics; Chemistry; Quantum mechanics","authors":[{"name":"Mukesh Kumar","is_ca":false},{"name":"Ashok Kumar","is_ca":false},{"name":"William J. Meath","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01344014430882333,"gpt":0.1891865416811007,"spread":0.1757463973722774,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009471451,0.0003116121,0.0002215302,0.002210386,0.0003640207,0.0005048997,0.0006520122,0.0003258975,0.008684997],"category_scores_gemma":[0.003917945,0.0001449761,0.0001975927,0.001912923,0.000373327,0.0005217153,0.0003187374,0.0004882328,0.001095253],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008586425,"about_ca_system_score_gemma":0.0003450993,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001533443,"about_ca_topic_score_gemma":0.001321625,"domain_scores_codex":[0.9996114,0.00006392163,0.00001827249,0.00006777642,0.0001967286,0.0000418873],"domain_scores_gemma":[0.9981264,0.0008462312,0.0002014114,0.0002462363,0.0005334218,0.00004618113],"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":[0.0006927088,0.0001461716,0.03505047,0.0009281179,0.0001008624,0.0002838011,0.0004805746,0.08311956,0.4480779,0.1877446,0.0115373,0.2318379],"study_design_scores_gemma":[0.00004372376,0.0003732428,0.03248252,0.00008152174,0.00006727921,0.001391127,0.0003921041,0.3346639,0.5308619,0.03821769,0.06120588,0.0002191611],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6377918,0.003665269,0.2721045,0.0006708787,0.000188935,0.0001642269,0.006328265,0.001276718,0.07780934],"genre_scores_gemma":[0.9677314,0.0005794847,0.02562111,0.00006226822,0.00002554033,0.00007362531,0.001975504,0.0002482569,0.003682925],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008684997,"threshold_uncertainty_score":0.02905422,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2163504218","doi":"10.1080/00268976.2014.951416","title":"Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H<sub>2</sub>reaction","year":2014,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Muon and positron interactions and applications","field":"Engineering","cited_by":24,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia; TRIUMF","funders":"","keywords":"Adiabatic process; Quantum tunnelling; Zero-point energy; Muonium; Potential energy surface; Potential energy; Transition state theory; Quantum; Chemistry; Physics; Reaction rate constant; Hydrogen; Atomic physics; Quantum mechanics; Molecule","authors":[{"name":"Steven L. Mielke","is_ca":false},{"name":"Bruce C. Garrett","is_ca":false},{"name":"Donald G. Fleming","is_ca":true},{"name":"Donald G. Truhlar","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004657421757202047,"gpt":0.188818095462977,"spread":0.184160673705775,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006160629,0.0004614919,0.00046662,0.0003641121,0.0006641121,0.0007070801,0.0008237502,0.0006178222,0.002412464],"category_scores_gemma":[0.001068215,0.0002490674,0.0005308922,0.000398118,0.0009955586,0.001226031,0.0009214446,0.0007521095,0.0002731096],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005005348,"about_ca_system_score_gemma":0.0003954427,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009589832,"about_ca_topic_score_gemma":0.00109955,"domain_scores_codex":[0.999866,0.00003999019,0.000005540548,0.000010938,0.00004466243,0.00003289939],"domain_scores_gemma":[0.999698,0.0001954143,0.00002933086,0.00004115974,0.00002149619,0.00001459256],"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":[0.0001078116,0.00005132008,0.001351603,0.0009103948,0.0000347844,0.0003464981,0.0003986943,0.2162523,0.01839246,0.7352266,0.0007264772,0.02620094],"study_design_scores_gemma":[0.00002845881,0.0001520637,0.002264393,0.000146258,0.00005306853,0.000393907,0.0004584253,0.6903801,0.0230701,0.2781447,0.004847397,0.0000612064],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8071852,0.01062902,0.1253375,0.000845698,0.0001936805,0.00005152123,0.0001041136,0.0002051637,0.05544813],"genre_scores_gemma":[0.98714,0.003401844,0.006977855,0.00006186902,0.00002476471,0.00004154403,0.00004735974,0.00005250906,0.002252202],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002412464,"threshold_uncertainty_score":0.008070529,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2063565481","doi":"10.1080/00268970110090502","title":"Practical failures from the inclusion of exact exchange: how much exact exchange is appropriate?","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":23,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Guelph","funders":"","keywords":"Diatomic molecule; Chalcogen; Chemistry; Electronic correlation; Exact solutions in general relativity; Symmetry breaking; Atomic orbital; Electron; Quantum mechanics; Physics; Molecule","authors":[{"name":"Galina Orlova","is_ca":true},{"name":"John D. Goddard","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02286577046181472,"gpt":0.2670001643968193,"spread":0.2441343939350046,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.01066341,0.0007958148,0.001440002,0.0005187884,0.0009776307,0.001386871,0.002188967,0.001490572,0.002196188],"category_scores_gemma":[0.02696741,0.0004076601,0.0005067716,0.000775691,0.002564473,0.006630301,0.002637101,0.002277061,0.0005342993],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004788924,"about_ca_system_score_gemma":0.0007510265,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006250193,"about_ca_topic_score_gemma":0.0008251211,"domain_scores_codex":[0.9966339,0.001730317,0.0001935909,0.0002484844,0.00095241,0.0002413852],"domain_scores_gemma":[0.9901295,0.005648957,0.00066953,0.00285753,0.0004993122,0.0001952841],"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":[0.00199818,0.0007532364,0.01685543,0.003317578,0.000575755,0.001127015,0.002406157,0.1604073,0.03467489,0.4348972,0.009259671,0.3337276],"study_design_scores_gemma":[0.0003771358,0.001388831,0.005693931,0.001784404,0.0002726318,0.001346176,0.001593379,0.3595828,0.04836999,0.5459859,0.03339186,0.000212896],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5313511,0.02383678,0.3805282,0.0249491,0.001019203,0.0001697014,0.0003081415,0.001203571,0.03663423],"genre_scores_gemma":[0.9256525,0.003511171,0.06680373,0.001542472,0.0002163099,0.0001189424,0.0001368472,0.0004430163,0.001575021],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01066341,"threshold_uncertainty_score":0.05639416,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1502436160","doi":"10.1080/0026897021000023640","title":"New vibrational assignments in the Ā <sup>1</sup> A <sub>u</sub> -[Xtilde] <sup>1</sup> Σ <sup>+</sup> <sub>g</sub> electronic transition of acetylene, C <sub>2</sub> H <sub>2</sub> : the v′ <sub>1</sub> frequency","year":2003,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":23,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"","keywords":"Atomic physics; Chemistry; Ab initio; Ab initio quantum chemistry methods; Acetylene; Ground state; Excited state; Spectral line; Basis set; Molecular physics; Physics; Molecule; Computational chemistry; Density functional theory","authors":[{"name":"A. J. Merer","is_ca":true},{"name":"Nami Yamakita","is_ca":false},{"name":"Soji Tsuchiya","is_ca":false},{"name":"John F. Stanton","is_ca":false},{"name":"Zicheng Duan","is_ca":false},{"name":"Robert W. Field","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006655698557838342,"gpt":0.2131572904442341,"spread":0.2065015918863958,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002629406,0.0003199729,0.0001272066,0.0005581729,0.0005188761,0.0003789461,0.000508863,0.0005270829,0.005608191],"category_scores_gemma":[0.000412929,0.0002209071,0.0002382196,0.0004263828,0.0004895894,0.0006569602,0.000382788,0.0004938704,0.000359265],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00030138,"about_ca_system_score_gemma":0.0002404514,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000729087,"about_ca_topic_score_gemma":0.001096794,"domain_scores_codex":[0.999874,0.00001534178,0.000006472163,0.00003774922,0.00003830991,0.00002822052],"domain_scores_gemma":[0.9998133,0.00004892452,0.00003972929,0.00003940061,0.0000357734,0.00002294564],"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":[0.0003205776,0.0001758173,0.008838236,0.0002751041,0.00002972524,0.0004607407,0.0005556047,0.01043691,0.8709333,0.02882465,0.002180932,0.07696851],"study_design_scores_gemma":[0.0001388805,0.0007532287,0.08982702,0.00009704693,0.0001299811,0.001196176,0.0009337007,0.2525909,0.5992206,0.03035712,0.02456284,0.0001924827],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9734403,0.0003905598,0.01547316,0.0002376815,0.00009677244,0.00001717868,0.0002793969,0.0002509533,0.009814165],"genre_scores_gemma":[0.9921167,0.0001157832,0.005823857,0.00005087583,0.00001361073,0.00002007695,0.0003394997,0.00002769222,0.001491906],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005608191,"threshold_uncertainty_score":0.01876128,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2031033235","doi":"10.1080/00268970010034559","title":"Exchange-Coulomb potential energy surfaces and related physical properties for Ne-N <sub>2</sub>","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":22,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Western University","funders":"","keywords":"Virial coefficient; Interatomic potential; Potential energy; van der Waals force; Atomic physics; Isotopomers; Chemistry; Potential energy surface; Spectral line; Rayleigh scattering; Lennard-Jones potential; Pair potential; Molecular physics; Physics; Thermodynamics; Molecular dynamics; Computational chemistry; Quantum mechanics","authors":[{"name":"Ashok K. Dham","is_ca":true},{"name":"William J. Meath","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007502625773081044,"gpt":0.211477348047188,"spread":0.203974722274107,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004188161,0.000539163,0.0003906415,0.0009903716,0.0008164894,0.0008277979,0.0009092938,0.0006727348,0.005327911],"category_scores_gemma":[0.0008501484,0.0001533442,0.0004344524,0.0006438712,0.0004470571,0.000555134,0.0004517893,0.0003195519,0.0005781568],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000630326,"about_ca_system_score_gemma":0.0003752287,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001803096,"about_ca_topic_score_gemma":0.00122678,"domain_scores_codex":[0.9998547,0.00003023075,0.000006039292,0.000009410789,0.00006627342,0.00003332214],"domain_scores_gemma":[0.9997762,0.0001081535,0.00001897736,0.00002375197,0.00005511255,0.00001793088],"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":[0.00009523788,0.0000838031,0.002047617,0.0001382298,0.00003734313,0.000361375,0.00006194139,0.7925147,0.01002418,0.1792961,0.001963736,0.01337578],"study_design_scores_gemma":[0.000007472422,0.00002094574,0.0007747607,0.000007606298,0.000003474425,0.00005578865,0.00003087112,0.9831092,0.002184629,0.01280926,0.0009819808,0.00001405403],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7551806,0.001069586,0.1732394,0.0005885625,0.0001189581,0.0001467537,0.0006683631,0.0002851816,0.0687027],"genre_scores_gemma":[0.9854509,0.0002076307,0.006964101,0.0000369427,0.00001403832,0.0001358447,0.0003864547,0.00007601592,0.006728135],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005327911,"threshold_uncertainty_score":0.01782364,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2790885656","doi":"10.1080/00268976.2018.1429687","title":"Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model","year":2018,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":21,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"National Key Research and Development Program of China; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"van der Waals force; Range (aeronautics); Morse potential; Dimension (graph theory); Potential energy; Morse code; Statistical physics; Intermolecular force; Function (biology); Energy (signal processing); Differentiable function; Surface (topology); Morse theory; Physics; Computer science; Quantum mechanics; Mathematics; Materials science; Mathematical analysis; Pure mathematics; Geometry","authors":[{"name":"Yu Zhai","is_ca":false},{"name":"Hui Li","is_ca":false},{"name":"Robert J. Le Roy","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.00754191023328165,"gpt":0.232890485859909,"spread":0.2253485756266273,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005241553,0.0004900832,0.001066464,0.0004818901,0.000587564,0.0009126146,0.00156469,0.001325216,0.002717796],"category_scores_gemma":[0.001123102,0.0003928684,0.001124593,0.0006478396,0.0004834074,0.001387299,0.001062632,0.001186017,0.0007964802],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004147239,"about_ca_system_score_gemma":0.0007029946,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001905921,"about_ca_topic_score_gemma":0.001186707,"domain_scores_codex":[0.9997476,0.00008830862,0.00001425112,0.00002123158,0.00009666743,0.00003196695],"domain_scores_gemma":[0.9997366,0.000120845,0.00001877987,0.00005147836,0.00005361552,0.00001854536],"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":[0.00003374611,0.00004625877,0.0009159722,0.0003566148,0.0000559643,0.0002692144,0.0001337839,0.8109135,0.005640338,0.1578048,0.002143494,0.02168644],"study_design_scores_gemma":[0.000004542611,0.00001039,0.00007804111,0.0000107951,0.000003305296,0.00002022536,0.00001382273,0.9872261,0.0003520284,0.01068162,0.001591623,0.000007612349],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0821542,0.003604201,0.8873758,0.0008511753,0.0001706294,0.00009955419,0.0003484737,0.0005671578,0.02482875],"genre_scores_gemma":[0.701021,0.003802087,0.2853032,0.0003855912,0.0001572578,0.0006636201,0.0009342168,0.0004643327,0.007268728],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002717796,"threshold_uncertainty_score":0.009091914,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1973794149","doi":"10.1080/00268970500217196","title":"On the Osipov–Pickup–Dunmur chirality index: why pseudoscalar functions are generally unsuitable to quantify chirality","year":2005,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of the Fraser Valley; Simon Fraser University","funders":"National Science Foundation","keywords":"Chirality (physics); Pickup; Measure (data warehouse); Pseudoscalar; Physics; Chemistry; Quantum mechanics; Computer science; Symmetry breaking; Chiral symmetry breaking; Image (mathematics)","authors":[{"name":"Greg Millar","is_ca":true},{"name":"Noham Weinberg","is_ca":true},{"name":"Kurt Mislow","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01458824212139644,"gpt":0.2494294581401448,"spread":0.2348412160187484,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.005101834,0.0008481131,0.001047837,0.002475074,0.001117496,0.003683043,0.001537636,0.001769777,0.001882584],"category_scores_gemma":[0.0108157,0.0002883944,0.0003766463,0.001396841,0.0100612,0.007858044,0.002612935,0.004705895,0.001004883],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001036904,"about_ca_system_score_gemma":0.0004969765,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004813032,"about_ca_topic_score_gemma":0.0003644972,"domain_scores_codex":[0.9982571,0.0006439735,0.000106401,0.0002598915,0.0006141915,0.0001184262],"domain_scores_gemma":[0.9921877,0.005271376,0.0005493693,0.0008153818,0.0009562969,0.0002198491],"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":[0.00004537209,0.0000126004,0.0005138231,0.0001116453,0.00001370915,0.0001697241,0.0002832191,0.002022358,0.003330166,0.9632105,0.002228949,0.02805793],"study_design_scores_gemma":[0.000005810908,0.00002814725,0.0006901611,0.0001586983,0.000006293764,0.0002034352,0.0001455389,0.01207599,0.002406179,0.9782661,0.005970882,0.00004292492],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2364883,0.04106873,0.5087389,0.02182736,0.002050099,0.00009834226,0.000309895,0.0007281883,0.1886902],"genre_scores_gemma":[0.9092205,0.01615794,0.06032917,0.003118651,0.001670969,0.0001408845,0.0001166183,0.0004254675,0.008819772],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005101834,"threshold_uncertainty_score":0.02698135,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2032532803","doi":"10.1080/00268970010017298","title":"A thermodynamic and photophysical study of the effects of thiourea on the micellar properties of aqueous sodium dodecyl sulphate solution","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Surfactants and Colloidal Systems","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"St. Francis Xavier University; McGill University","funders":"","keywords":"Thiourea; Chemistry; Aqueous solution; Micelle; Critical micelle concentration; Sodium dodecyl sulfate; Dissociation (chemistry); Inorganic chemistry; Fluorescence; Pulmonary surfactant; Aggregation number; Physical chemistry; Chromatography; Organic chemistry","authors":[{"name":"Susan E. Burke","is_ca":true},{"name":"Marianne P. Rodgers","is_ca":true},{"name":"R. Palepu","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007409281861701292,"gpt":0.1844695059378555,"spread":0.1770602240761542,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000285424,0.0002083911,0.0001921842,0.0002404704,0.0001665238,0.0002097327,0.0001990783,0.0001738804,0.0007738073],"category_scores_gemma":[0.0004508731,0.0001180686,0.0001647538,0.000187219,0.0002486069,0.0002187437,0.00009102832,0.0003043483,0.0001587617],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002031428,"about_ca_system_score_gemma":0.0001265343,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007836916,"about_ca_topic_score_gemma":0.0005141493,"domain_scores_codex":[0.9998698,0.00002783821,0.000007809359,0.00002055146,0.00005760164,0.00001628475],"domain_scores_gemma":[0.9997823,0.00006877937,0.00004790775,0.000012291,0.00006566324,0.00002309646],"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":[0.0000355992,0.00001466179,0.0001848005,0.0000270405,0.000004284975,0.00002288527,0.00002227325,0.0001874146,0.9985758,0.00007884398,0.000009100779,0.0008373248],"study_design_scores_gemma":[0.000004008801,0.0001611122,0.002865633,0.000003650169,0.000008850026,0.00005640555,0.00001438423,0.003072215,0.9934524,0.00003746953,0.0003190516,0.000004749767],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955212,0.001150227,0.002436266,0.00002729385,0.000008991574,0.00001251744,0.00005639835,0.00002520905,0.0007618663],"genre_scores_gemma":[0.997738,0.0005541205,0.001079793,0.00001485629,0.000005699354,0.00001223272,0.00007658373,0.000007271643,0.0005114769],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007836916,"threshold_uncertainty_score":0.002588689,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2157805003","doi":"10.1080/00268970210145311","title":"New accurate binary hard sphere mixture radial distribution functions at contact and a new equation of state","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":19,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Guelph","funders":"","keywords":"Binary number; Virial coefficient; Equation of state; Virial theorem; Simple (philosophy); Radial distribution function; Distribution (mathematics); Statistical physics; State (computer science); Thermodynamics; Physics; Mathematics; Mathematical analysis; Quantum mechanics; Algorithm; Molecular dynamics","authors":[{"name":"David Viduna","is_ca":true},{"name":"William R. Smith","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01525837809143555,"gpt":0.1972204620343019,"spread":0.1819620839428663,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002068632,0.0009938177,0.001592441,0.002428239,0.0008147637,0.002222779,0.003298985,0.002020915,0.004742284],"category_scores_gemma":[0.005758636,0.0009444454,0.001139774,0.001552208,0.001408468,0.00681764,0.002062237,0.00259679,0.00272832],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002193979,"about_ca_system_score_gemma":0.001121131,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002404144,"about_ca_topic_score_gemma":0.002288211,"domain_scores_codex":[0.9982629,0.0002506212,0.0001210125,0.0001604617,0.001110456,0.00009460343],"domain_scores_gemma":[0.9986687,0.0004336847,0.0001027342,0.0002819358,0.0004494705,0.00006362317],"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":[0.00003873985,0.00006687801,0.0004350771,0.000175346,0.00002292242,0.0001168294,0.0001384952,0.1012991,0.008668243,0.8338137,0.00525358,0.04997109],"study_design_scores_gemma":[0.00001060142,0.00001498669,0.0002024807,0.0000273933,0.00001166937,0.0001186328,0.0000214588,0.8843831,0.003238731,0.100068,0.01184804,0.00005491719],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.009547675,0.001549095,0.9706331,0.0006049887,0.0003331065,0.00009096824,0.0002786494,0.0004561936,0.01650636],"genre_scores_gemma":[0.3280739,0.004438436,0.6164292,0.001246769,0.0006189288,0.0006519942,0.001457527,0.001553184,0.04552998],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004742284,"threshold_uncertainty_score":0.01591843,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1522550499","doi":"10.1080/00268970110043991","title":"Microwave rotational spectra of the Kr-NH<sub>3</sub>van der Waals complex","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"","keywords":"Isotopomers; Chemistry; Hyperfine structure; Quadrupole; Deuterium; Atomic physics; van der Waals force; Kinetic isotope effect; Excited state; Ground state; Rotational spectroscopy; Spectral line; Physics; Molecule","authors":[{"name":"Jennifer van Wijngaarden","is_ca":true},{"name":"Wolfgang Jäger","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008624611510508813,"gpt":0.2270089857714085,"spread":0.2183843742608997,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001389401,0.0002138009,0.0001870351,0.0002288649,0.0002818169,0.0002238782,0.0002885456,0.0002616073,0.00314261],"category_scores_gemma":[0.0004514839,0.000106113,0.00008029018,0.0003915667,0.0003661416,0.0003018078,0.0001864623,0.0004729937,0.0002666611],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000253293,"about_ca_system_score_gemma":0.00009931369,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009893775,"about_ca_topic_score_gemma":0.0007773834,"domain_scores_codex":[0.999887,0.00001208287,0.000002765036,0.00002359504,0.00004422953,0.00003030239],"domain_scores_gemma":[0.999711,0.0001233588,0.00006383022,0.00001879404,0.00005073797,0.00003217529],"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":[0.0001391635,0.00002617729,0.001554632,0.00003486983,0.00001728346,0.00007859342,0.000167601,0.0005675889,0.9922813,0.001024654,0.0002005159,0.003907673],"study_design_scores_gemma":[0.0000588773,0.0005867557,0.05030919,0.00001176463,0.00003471132,0.0004963286,0.0004983664,0.01564993,0.9243253,0.001267438,0.006699893,0.0000615327],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958889,0.000192897,0.002159057,0.00005177444,0.000006231954,0.00000485327,0.000102498,0.00002769003,0.001566149],"genre_scores_gemma":[0.9980716,0.00008276496,0.0007904074,0.00003331469,0.00000308839,0.000006369963,0.0002092064,0.00002221441,0.0007810264],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00314261,"threshold_uncertainty_score":0.01051313,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2066565253","doi":"10.1080/0026897021000021840","title":"Transition moments and NH<sub>2</sub>cometary spectra","year":2003,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Spectral line; Chemistry; Atomic physics; Physics; Quantum mechanics","authors":[{"name":"Per Jensen","is_ca":false},{"name":"W.P. Kraemer","is_ca":false},{"name":"P. R. Bunker","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006938003381439278,"gpt":0.2298026165677859,"spread":0.2228646131863466,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000175437,0.0003069189,0.0001358137,0.0003666196,0.0003252026,0.0002627649,0.0004917741,0.0004015806,0.003204934],"category_scores_gemma":[0.0008140667,0.0001271321,0.0002138288,0.0002059505,0.0002152548,0.0004262237,0.0002749617,0.0002277233,0.0004072283],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006045973,"about_ca_system_score_gemma":0.0001784587,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002551536,"about_ca_topic_score_gemma":0.002089782,"domain_scores_codex":[0.9999421,0.000009107835,0.000001452089,0.000007733583,0.00002680002,0.0000127922],"domain_scores_gemma":[0.9998655,0.00005728944,0.00002222392,0.00001275108,0.0000287532,0.00001351785],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003670345,0.0001027507,0.009768082,0.0002746165,0.00007740406,0.0008252842,0.0004898726,0.6556587,0.162496,0.1200386,0.003107724,0.046794],"study_design_scores_gemma":[0.00005964302,0.00010472,0.01010285,0.00002097586,0.00002756599,0.0002524261,0.0001024857,0.8851997,0.07354091,0.02728436,0.003256922,0.00004750565],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8949757,0.0006637166,0.07984553,0.0003634613,0.00005791615,0.00004044564,0.0003996233,0.001206519,0.02244707],"genre_scores_gemma":[0.9908544,0.00009711168,0.006731222,0.0000399164,0.000008934602,0.00001738954,0.0001675966,0.00009201138,0.001991361],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003204934,"threshold_uncertainty_score":0.01072162,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2004226779","doi":"10.1080/00268970110101347","title":"Theoretical study of hyperfine coupling constants and electron spin<i>g</i>factors for X<sup>2</sup>Σ<sup>+</sup>diatomics from Groups 1 and 2","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of New Brunswick","funders":"","keywords":"Hyperfine structure; Chemistry; Wave function; Atomic physics; Radical; Ground state; Magnetic moment; Coupling constant; Electron; Spectral line; Hamiltonian (control theory); Physics; Quantum mechanics","authors":[{"name":"Pablo J. Bruna","is_ca":true},{"name":"Friedrich Grein","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01001533593295828,"gpt":0.2289660503993034,"spread":0.2189507144663451,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002793193,0.000386184,0.000367093,0.0007264041,0.0005487265,0.000270266,0.0008471903,0.0006243587,0.003572401],"category_scores_gemma":[0.0004267095,0.0001678343,0.0003356575,0.0006164719,0.0004647544,0.0003631674,0.0002252434,0.0002930885,0.0004024983],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005993636,"about_ca_system_score_gemma":0.000442702,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00138891,"about_ca_topic_score_gemma":0.001884535,"domain_scores_codex":[0.9999242,0.00001655883,0.00000208318,0.000008603159,0.0000294282,0.00001922916],"domain_scores_gemma":[0.9998752,0.00005418457,0.00001427917,0.00002213182,0.00002488862,0.000009224937],"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":[0.0002005405,0.0001378646,0.005929968,0.0006463492,0.00005221213,0.0005293587,0.0002837616,0.7464074,0.04044137,0.1718381,0.00208913,0.03144392],"study_design_scores_gemma":[0.00004727938,0.0001193669,0.006008337,0.00003251966,0.000018312,0.0001150207,0.0001960009,0.9579836,0.009220057,0.02308899,0.003147884,0.00002263558],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9278637,0.001071711,0.04099607,0.0003993562,0.00002442221,0.00005402057,0.0004104164,0.0001945847,0.02898563],"genre_scores_gemma":[0.9893774,0.0002733747,0.007481474,0.00005113689,0.0000129807,0.00008712691,0.000367689,0.0000464621,0.002302394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003572401,"threshold_uncertainty_score":0.01195091,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2021698130","doi":"10.1080/00268970110099576","title":"Rotational spectra and internal dynamics of Ne—H<sub>2</sub>S","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"","keywords":"Isotopomers; Chemistry; Quadrupole; Hyperfine structure; Kinetic isotope effect; Excited state; Atomic physics; Coupling constant; Rotational spectroscopy; Ground state; Ab initio; Ab initio quantum chemistry methods; Spectral line; Molecular physics; Physics; Molecule; Deuterium","authors":[{"name":"Yaqian Liu","is_ca":true},{"name":"Wolfgang Jäger","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.003717771649479037,"gpt":0.1967174579280457,"spread":0.1929996862785666,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000106056,0.0001568942,0.0001269977,0.0001502913,0.0001968215,0.0002083375,0.0002174281,0.0001215369,0.002901782],"category_scores_gemma":[0.000216203,0.00009316263,0.00009187703,0.0001782069,0.0002100156,0.0002258195,0.0001273787,0.0002442941,0.000210661],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002316339,"about_ca_system_score_gemma":0.00006865633,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00133779,"about_ca_topic_score_gemma":0.001189098,"domain_scores_codex":[0.9999375,0.000006464012,0.000001976424,0.00001908108,0.0000182391,0.0000166569],"domain_scores_gemma":[0.9999071,0.00002596421,0.00002138903,0.000007903864,0.00002074252,0.00001687942],"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":[0.0002701976,0.0000345405,0.002802101,0.000027839,0.00002074469,0.00006765499,0.0001451114,0.000746559,0.9903256,0.0005611107,0.0001787211,0.004819839],"study_design_scores_gemma":[0.00004870732,0.0005340805,0.07429346,0.00000921041,0.00002436092,0.000250213,0.0003380676,0.02488381,0.8940248,0.00062277,0.00492521,0.00004531098],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982122,0.00008687665,0.0008142905,0.00001857756,0.000003769502,0.000002076284,0.00005960931,0.000009723069,0.0007929115],"genre_scores_gemma":[0.9982687,0.00005942356,0.0003697799,0.00001515401,0.000002307745,0.000003727908,0.00030323,0.00001464489,0.000963047],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002901782,"threshold_uncertainty_score":0.009707451,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2072310679","doi":"10.1080/00268976.2012.672771","title":"<i>K</i>-independent vibrational bases for systems with large amplitude motion","year":2012,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":18,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"","keywords":"Legendre polynomials; Wave function; Quantum; Gravitational singularity; Basis (linear algebra); Eigenvalues and eigenvectors; Amplitude; Singularity; Quantum mechanics; Basis function; Angular momentum; Physics; Atom (system on chip); Total angular momentum quantum number; Linear molecular geometry; Molecule; Mathematics; Mathematical analysis; Geometry","authors":[{"name":"Xiaogang Wang","is_ca":true},{"name":"Tucker Carrington","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01022002011554748,"gpt":0.2432725678423899,"spread":0.2330525477268424,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001481692,0.0003729282,0.0004243283,0.0009892988,0.00058675,0.0008009498,0.001423286,0.0004822307,0.004624529],"category_scores_gemma":[0.004257113,0.0002235131,0.0005596586,0.0007404432,0.0008554738,0.001940887,0.0007449829,0.001153918,0.0009067921],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002543506,"about_ca_system_score_gemma":0.0006598296,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000595562,"about_ca_topic_score_gemma":0.001487405,"domain_scores_codex":[0.9995146,0.0001477143,0.00003201127,0.00002469102,0.000206187,0.00007489316],"domain_scores_gemma":[0.9974188,0.0008104174,0.0002151646,0.001030823,0.000412022,0.0001128176],"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":[0.0005045159,0.0005322351,0.006053785,0.0007179629,0.00008834932,0.0003143043,0.000542013,0.2098788,0.1093552,0.533218,0.004845125,0.1339498],"study_design_scores_gemma":[0.00007885194,0.0003049082,0.003570728,0.0001188896,0.00004381599,0.0002031299,0.0002612636,0.8469444,0.04901829,0.09148043,0.007837157,0.0001381231],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.542464,0.0007667712,0.4286448,0.0005804495,0.0001387171,0.0001326648,0.0001814108,0.0005198654,0.0265714],"genre_scores_gemma":[0.8172439,0.0004982767,0.1787672,0.0001106268,0.00005083459,0.0001301394,0.000278338,0.0002035681,0.00271709],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004624529,"threshold_uncertainty_score":0.01547056,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2091805736","doi":"10.1080/00268970802139916","title":"Dipole oscillator strength distributions, properties and dispersion energies for the dimethyl, diethyl and methyl–propyl ethers","year":2008,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Western University","funders":"","keywords":"Oscillator strength; Dipole; Isotropy; Chemistry; Diethyl ether; Dimethyl ether; Molecule; Atomic physics; Molecular physics; Computational chemistry; Physics; Quantum mechanics; Organic chemistry","authors":[{"name":"Ashok Kumar","is_ca":false},{"name":"William J. Meath","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0214834998241374,"gpt":0.2350921193457707,"spread":0.2136086195216333,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007940204,0.0002988002,0.0002110522,0.001623333,0.0002872539,0.0002836318,0.0004459069,0.0001694953,0.006535902],"category_scores_gemma":[0.001561812,0.0001955592,0.0002735727,0.001253173,0.0003937146,0.0004938815,0.0003623857,0.0005035971,0.0005746665],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003762824,"about_ca_system_score_gemma":0.000241793,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005203166,"about_ca_topic_score_gemma":0.0006386173,"domain_scores_codex":[0.9998016,0.00002981034,0.00001341356,0.0000364965,0.00009312209,0.00002564027],"domain_scores_gemma":[0.9992834,0.0003010161,0.0001258194,0.0001124808,0.0001521962,0.00002508624],"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":[0.0007580548,0.0001543827,0.01923673,0.0006124296,0.00008641895,0.000340148,0.0003334936,0.06248359,0.7121292,0.08094103,0.003083856,0.1198407],"study_design_scores_gemma":[0.0000512319,0.000288881,0.02950366,0.00003392105,0.00007608094,0.0004171817,0.000187256,0.1547031,0.7832956,0.01654753,0.0147552,0.0001403063],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8726189,0.001223834,0.0978937,0.0001848839,0.00004180192,0.00008049926,0.002928004,0.0002120558,0.0248163],"genre_scores_gemma":[0.9799405,0.0008818655,0.01469053,0.00002702972,0.00001713391,0.00005372733,0.002001997,0.00006241914,0.002324796],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006535902,"threshold_uncertainty_score":0.02186471,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2026652599","doi":"10.1080/00268976.2012.667166","title":"Driven coupled Morse oscillators: visualizing the phase space and characterizing the transport","year":2012,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":18,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Phase space; Quantum; Quantum dynamics; Mesoscopic physics; Physical system; Integrable system; Pairwise comparison; Curse of dimensionality; Complex system; Superposition principle","authors":[],"retraction":null,"screen_n_in":null,"score":{"opus":0.0120407169087631,"gpt":0.2824141741903629,"spread":0.2703734572815997,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001631705,0.000167984,0.0001592854,0.0003958249,0.0001468361,0.0003968607,0.0002331525,0.0003600791,0.0007805817],"category_scores_gemma":[0.0004736317,0.0001610111,0.0001594442,0.0001548366,0.00059202,0.0005422245,0.0003627519,0.0003284966,0.00008490281],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002031171,"about_ca_system_score_gemma":0.0001285345,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003703534,"about_ca_topic_score_gemma":0.0002928921,"domain_scores_codex":[0.9999534,0.00001817895,0.000001705449,0.000007476754,0.00001157642,0.000007676378],"domain_scores_gemma":[0.9999045,0.0000415407,0.00002157398,0.00001132856,0.000006700852,0.00001436048],"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":[0.0002426098,0.0001038776,0.006563211,0.0001642245,0.00007733216,0.0007253549,0.001315583,0.3295057,0.3219539,0.3095906,0.00058413,0.02917358],"study_design_scores_gemma":[0.000009213006,0.00003574765,0.002662417,0.000007564346,0.000005106538,0.0001217988,0.0001446416,0.9535846,0.005915076,0.03683041,0.00066762,0.00001586205],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.859612,0.0002236517,0.1356236,0.0001721914,0.00001569078,0.0000241623,0.0000446313,0.0001052903,0.004178742],"genre_scores_gemma":[0.9821407,0.0001054303,0.01701041,0.00001118345,0.000006720986,0.00001316976,0.00001927071,0.0000151169,0.0006780347],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007805817,"threshold_uncertainty_score":0.002611279,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2087301962","doi":"10.1080/00268970210162673","title":"Self-diffusion coefficient of liquid nitrogen","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Diffusion Coefficients in Liquids","field":"Chemistry","cited_by":17,"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":"Self-diffusion; Diffusion; Nitrogen; Effective diffusion coefficient; Liquid nitrogen; Chemistry; Thermodynamics; Materials science; Analytical Chemistry (journal); Chemical physics; Chromatography; Organic chemistry; Physics; Medicine; Business","authors":[{"name":"Kyunil Rah","is_ca":true},{"name":"Byung Chan Eu","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009039566759683763,"gpt":0.2193737886188203,"spread":0.2103342218591366,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002823906,0.0002507374,0.0002490762,0.0005992271,0.0003118532,0.0002859416,0.0004880357,0.0003366166,0.00217518],"category_scores_gemma":[0.001095218,0.0001581871,0.0001397803,0.0002237332,0.0005870073,0.001050493,0.000510291,0.0004226042,0.000195695],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005748407,"about_ca_system_score_gemma":0.0003818994,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002403332,"about_ca_topic_score_gemma":0.001444952,"domain_scores_codex":[0.9998813,0.00001436459,0.000004181627,0.00003432336,0.00004665768,0.00001921561],"domain_scores_gemma":[0.999534,0.0002430038,0.000044551,0.00002943659,0.0001090497,0.00003996361],"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":[0.0002152636,0.00015574,0.002303611,0.0004413027,0.00003666043,0.000331495,0.0006012613,0.03032487,0.6796827,0.269904,0.001916369,0.01408676],"study_design_scores_gemma":[0.00003818941,0.00009893977,0.006166049,0.00003930264,0.00003256737,0.0004760085,0.0001432049,0.4527549,0.4995687,0.03009346,0.01047526,0.0001133463],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9345519,0.002079952,0.03005783,0.0004606377,0.0001870149,0.00003651164,0.0002197975,0.000178519,0.03222781],"genre_scores_gemma":[0.9837285,0.0009879794,0.003694185,0.00005931823,0.00003876068,0.00001940941,0.0001547294,0.00005191176,0.01126514],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002403332,"threshold_uncertainty_score":0.007276714,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2023458990","doi":"10.1080/00268970050052024","title":"Evaluating virial coefficients for multicomponent mixtures: hard sphere mixtures and flexible chains","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":17,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true},"ca_institutions":"","funders":"","keywords":"Virial coefficient; Virial theorem; Thermodynamics; Materials science; Statistical physics; Polymer science; Physics; Quantum mechanics","authors":[{"name":"Carlos Vega","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02124449085884082,"gpt":0.2800944957051374,"spread":0.2588500048462966,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002471874,0.0008424628,0.001160367,0.003959761,0.001144738,0.002302268,0.001736339,0.001057592,0.004712539],"category_scores_gemma":[0.009886098,0.0008322729,0.001056629,0.001433276,0.0011478,0.002802499,0.002085548,0.001760101,0.001005178],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001924136,"about_ca_system_score_gemma":0.001798322,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003630648,"about_ca_topic_score_gemma":0.004681245,"domain_scores_codex":[0.9991371,0.0002018397,0.00004670698,0.00008205675,0.0004449177,0.00008749561],"domain_scores_gemma":[0.996357,0.002592127,0.0001969747,0.0002743908,0.0004110393,0.0001684696],"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":[0.0001494016,0.0001357672,0.002527788,0.00022322,0.00009877679,0.000189442,0.0002306603,0.6019144,0.01707986,0.2393979,0.001576303,0.1364764],"study_design_scores_gemma":[0.000007168795,0.000007306875,0.000201327,0.0000127534,0.000005722006,0.0000306793,0.00001587649,0.943777,0.005994942,0.04905798,0.0008704967,0.00001882082],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.03782566,0.0001762913,0.9583352,0.00008848691,0.00002629258,0.00007060189,0.00005903877,0.0008401616,0.002578235],"genre_scores_gemma":[0.2460823,0.0002000698,0.7494466,0.00005730335,0.0000211623,0.0001289539,0.0001806067,0.0008507568,0.003032196],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004712539,"threshold_uncertainty_score":0.01576507,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2049046238","doi":"10.1080/00268970110096434","title":"Interatomic interactions and the Cotton—Mouton effect for helium","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":16,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Ottawa","funders":"","keywords":"Polarizability; Virial coefficient; Chemistry; Helium; Atomic physics; Anisotropy; Atomic orbital; Hyperpolarizability; Thermodynamics; Electron; Quantum mechanics; Physics; Molecule","authors":[{"name":"Antonio Rizzo","is_ca":false},{"name":"Kenneth Ruud","is_ca":false},{"name":"David M. Bishop","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005946994837212239,"gpt":0.239858937462426,"spread":0.2339119426252138,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000342648,0.000331368,0.0004487857,0.0005863033,0.0007014076,0.0003066568,0.0004694618,0.000271174,0.001423067],"category_scores_gemma":[0.0009785723,0.000195158,0.0002585117,0.0005137696,0.000718063,0.0003094925,0.0007336774,0.0003791156,0.0001162635],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004281705,"about_ca_system_score_gemma":0.0004188568,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002254826,"about_ca_topic_score_gemma":0.002057992,"domain_scores_codex":[0.9998697,0.0000430636,0.000002765782,0.000006840705,0.00004128814,0.00003642457],"domain_scores_gemma":[0.9995227,0.0003007725,0.00005004019,0.00004164588,0.00005044292,0.00003446308],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001144727,0.0001649835,0.01285411,0.0004503717,0.0001669528,0.001444116,0.0007678065,0.7348242,0.1507172,0.07375918,0.0006282835,0.02307819],"study_design_scores_gemma":[0.0001804792,0.0003384847,0.00940892,0.00003416221,0.00005681311,0.0001800421,0.0002050705,0.9087512,0.06555701,0.01358768,0.001636737,0.0000634796],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933842,0.0002018988,0.003721009,0.00008060219,0.000006518099,0.000005875362,0.00001742618,0.00006476414,0.002517766],"genre_scores_gemma":[0.9987929,0.0001083766,0.0006775997,0.000006702965,0.000003791049,0.000006664224,0.00001131048,0.00001472514,0.0003779362],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002254826,"threshold_uncertainty_score":0.004760623,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2000995018","doi":"10.1080/00268976.2013.796412","title":"VO<sup>2+</sup>–hydroxyapatite complexes as models for vanadyl coordination to phosphate in bone","year":2013,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Vanadium and Halogenation Chemistry","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"National Institute of General Medical Sciences","keywords":"Chemistry; Vanadium; Phosphate; Hyperfine structure; In vivo; Molecule; Spectral line; Ion; Adsorption; Crystallography; Inorganic chemistry; Biochemistry; Physical chemistry; Organic chemistry","authors":[{"name":"Sergei A. Dikanov","is_ca":false},{"name":"Barry D. Liboiron","is_ca":true},{"name":"Chris Orvig","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01160878842193733,"gpt":0.2334463881995671,"spread":0.2218375997776298,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002404099,0.0002887892,0.0002674596,0.0002168027,0.000270905,0.0007961683,0.0009958067,0.000511516,0.0009724495],"category_scores_gemma":[0.000426544,0.0002467727,0.0002174855,0.0002807704,0.0003921249,0.0005191767,0.000469484,0.0004409511,0.0002223377],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006619889,"about_ca_system_score_gemma":0.0002575846,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002558173,"about_ca_topic_score_gemma":0.00209478,"domain_scores_codex":[0.999835,0.00005354502,0.000009436217,0.00003447467,0.00003340886,0.00003416938],"domain_scores_gemma":[0.9999328,0.00003530061,0.000009538398,0.000005644936,0.000008720331,0.00000808125],"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":[0.002066319,0.0001919486,0.002262381,0.00121454,0.000119834,0.0005548836,0.0006994073,0.03377583,0.8873797,0.05134378,0.002013136,0.01837829],"study_design_scores_gemma":[0.0002409292,0.0009292645,0.002197495,0.00006688066,0.0001112146,0.0006834454,0.0006944282,0.1303371,0.8338745,0.008118232,0.02265809,0.00008829485],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9806054,0.004131235,0.00990234,0.000263121,0.00008795622,0.00006118945,0.0001960209,0.0000879153,0.004664914],"genre_scores_gemma":[0.9943091,0.0009668554,0.002758448,0.00003383811,0.000006019523,0.0000194874,0.0001779593,0.00002595616,0.001702346],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002558173,"threshold_uncertainty_score":0.005086541,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1990231522","doi":"10.1080/00268970010020618","title":"The weakly bound complex NH<sub>3</sub>-CO: Observation and analysis of spectra in the infrared (C-O stretching) and millimetre wave (76–106 GHz) regions","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"van der Waals force; Intermolecular force; Infrared; Chemistry; Spectral line; Infrared spectroscopy; Molecule; Millimetre wave; Microwave; Van der Waals molecule; Atomic physics; Crystallography; Molecular physics; Analytical Chemistry (journal); Physics; Optics","authors":[{"name":"Changhong Xia","is_ca":true},{"name":"Kaley A. Walker","is_ca":true},{"name":"A. R. W. McKellar","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01720084118147067,"gpt":0.2463956250827899,"spread":0.2291947839013193,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006886419,0.0001755915,0.0001792485,0.0001828533,0.0003076765,0.0002726182,0.0002912179,0.0002341332,0.001502126],"category_scores_gemma":[0.0002609158,0.00009550275,0.00007312865,0.0002424135,0.0002954209,0.0002342044,0.0002504693,0.0003353546,0.0001771231],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001535223,"about_ca_system_score_gemma":0.00007574481,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008428374,"about_ca_topic_score_gemma":0.0007504059,"domain_scores_codex":[0.9998978,0.000009297163,0.000002843869,0.00002503315,0.00004086778,0.00002403891],"domain_scores_gemma":[0.999872,0.00003718623,0.00003388817,0.000009181435,0.00002239461,0.0000253754],"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":[0.0002252466,0.00002426467,0.002745716,0.00005605954,0.00001615782,0.00009300137,0.00007696023,0.0001350413,0.9942239,0.0002061001,0.00005928305,0.00213844],"study_design_scores_gemma":[0.00002237371,0.0002544768,0.04030855,0.000007489004,0.00002616603,0.0006315426,0.0002147586,0.003497969,0.9523409,0.0002392283,0.002440189,0.0000164227],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967867,0.0004064958,0.001403066,0.00003351162,0.000005709634,0.000005427935,0.00004814329,0.00001322453,0.001297709],"genre_scores_gemma":[0.9987321,0.0001025563,0.0004205761,0.00002328815,0.000002879118,0.000004358951,0.0001309294,0.00000817103,0.0005751281],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001502126,"threshold_uncertainty_score":0.005025089,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2083539978","doi":"10.1080/00268970601131999","title":"Computing tunneling paths with the Hamilton–Jacobi equation and the fast marching method","year":2007,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":14,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"McMaster University","funders":"Freie Universität Berlin; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Action (physics); Fast marching method; Adiabatic process; Quantum tunnelling; Mathematics; Potential energy surface; Method of steepest descent; Path (computing); Surface (topology); Applied mathematics; Mathematical analysis; Physics; Quantum mechanics; Computer science; Geometry; Algorithm","authors":[{"name":"Bijoy K. Dey","is_ca":true},{"name":"Paul W. Ayers","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008116617955463128,"gpt":0.2598178188819521,"spread":0.251701200926489,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008700382,0.0007266036,0.0006526965,0.0005450368,0.0006778509,0.0008108264,0.001442358,0.00109761,0.003318546],"category_scores_gemma":[0.002446215,0.0005908985,0.0008009185,0.0006021173,0.0008115542,0.001595531,0.0009687275,0.001143928,0.0005130559],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000702559,"about_ca_system_score_gemma":0.001786316,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004612553,"about_ca_topic_score_gemma":0.002603731,"domain_scores_codex":[0.9997466,0.00006413368,0.00001570824,0.00003222646,0.0001149739,0.00002630899],"domain_scores_gemma":[0.9994364,0.0003196467,0.00005010607,0.00006438357,0.00009630642,0.0000330835],"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":[0.00005602512,0.0000313029,0.0004777423,0.0001343559,0.00004017601,0.0001735189,0.0001034516,0.8236716,0.005068186,0.1143362,0.001250789,0.05465669],"study_design_scores_gemma":[0.000009032387,0.000007666177,0.00003538023,0.000003762147,0.000002834106,0.00002149875,0.000004511865,0.9873038,0.0006950352,0.01111864,0.0007910079,0.000006886941],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.00882198,0.0001412756,0.9888686,0.0001104691,0.00002920601,0.00004227489,0.00003858449,0.000240663,0.001706967],"genre_scores_gemma":[0.1191553,0.0002680949,0.8774862,0.00004303848,0.00002098762,0.0001900247,0.0001045586,0.0001565286,0.002575274],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004612553,"threshold_uncertainty_score":0.01110166,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2041132510","doi":"10.1080/00268970010008342","title":"The structures and stabilities of mixed inert gas cluster ions: NeHe <sup>+</sup> <sub>n</sub> and ArHe <sup>+</sup> <sub>n</sub>","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":14,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Ion; Cluster (spacecraft); Atomic physics; Chemistry; Ab initio; Ab initio quantum chemistry methods; Charge (physics); Physics; Molecule","authors":[{"name":"J.N. Murrell","is_ca":false},{"name":"Fedor Y. Naumkin","is_ca":true},{"name":"C. R. GRIFFITHS","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006561502962862328,"gpt":0.2143379111664683,"spread":0.207776408203606,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001997956,0.000261602,0.0001465138,0.000371941,0.0003484677,0.0003699615,0.000649259,0.0003160537,0.002399809],"category_scores_gemma":[0.0003830376,0.0001692404,0.0001231261,0.000222064,0.0003594223,0.0002564317,0.0003247147,0.0002451548,0.0003171285],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004133752,"about_ca_system_score_gemma":0.000207911,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001128003,"about_ca_topic_score_gemma":0.001758434,"domain_scores_codex":[0.99994,0.0000086541,0.000004027948,0.00001853764,0.00002021771,0.000008461484],"domain_scores_gemma":[0.9998555,0.00003417317,0.00003684406,0.00001353937,0.00004673686,0.00001323167],"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":[0.001766822,0.00006949139,0.01983517,0.0003742184,0.00008797069,0.0002583044,0.0005845446,0.05207011,0.889874,0.02095395,0.000870179,0.01325533],"study_design_scores_gemma":[0.00008320866,0.0004361414,0.014335,0.00002081362,0.00004955347,0.0002904471,0.0002729983,0.1417806,0.8349914,0.003608855,0.004083879,0.00004715968],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9913073,0.0002126737,0.004153104,0.0000381625,0.000006929946,0.00001140204,0.0002631919,0.0001137455,0.003893416],"genre_scores_gemma":[0.9959301,0.00004590184,0.002880564,0.000007129734,0.000001553615,0.0000110488,0.000309103,0.00002183895,0.0007927716],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002399809,"threshold_uncertainty_score":0.00802815,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4401704505","doi":"10.1080/00268976.2024.2390592","title":"A comprehensive investigation on one-pot synthesis of imidazole derivatives: quantum computational analysis, molecular docking, molecular dynamics simulations and antiviral activity against SARS-CoV-2","year":2024,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"St. Peter's Hospital","funders":"","keywords":"Imidazole; Molecular dynamics; Docking (animal); Chemistry; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Computational chemistry; Combinatorial chemistry; Coronavirus disease 2019 (COVID-19); Stereochemistry; Medicine; Infectious disease (medical specialty)","authors":[{"name":"Solo Lorin","is_ca":false},{"name":"D. Rajaraman","is_ca":true},{"name":"S. Sonadevi","is_ca":true},{"name":"Peter Solo","is_ca":false},{"name":"Karuppiah Nagaraj","is_ca":false},{"name":"K. Raja","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03478127870015049,"gpt":0.2794950393548717,"spread":0.2447137606547212,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001756024,0.0003611443,0.0004948907,0.0001818825,0.0002159428,0.0002844333,0.000353671,0.0002336503,0.001361381],"category_scores_gemma":[0.0001666614,0.00013892,0.000306899,0.0003086448,0.0001110769,0.0002792386,0.0001911592,0.000369513,0.0002867149],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003692787,"about_ca_system_score_gemma":0.0003155897,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008984597,"about_ca_topic_score_gemma":0.001681079,"domain_scores_codex":[0.9999417,0.000009697372,0.000003496061,0.00001065998,0.00002398944,0.0000105713],"domain_scores_gemma":[0.9999545,0.00001292793,0.00001000705,0.000005052135,0.00001079475,0.000006639615],"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":[0.0007807428,0.001291104,0.001817102,0.001516807,0.0001338438,0.000598368,0.0001735531,0.1965375,0.7018703,0.007219706,0.001392566,0.08666829],"study_design_scores_gemma":[0.0002447063,0.004192349,0.004525943,0.00006278617,0.0001855942,0.0004771432,0.0001627888,0.4246292,0.547015,0.001162624,0.01726278,0.00007912656],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9657,0.005031119,0.02049898,0.000160203,0.0000299435,0.000111534,0.0005517328,0.0002571236,0.007659442],"genre_scores_gemma":[0.9747594,0.002826035,0.01972779,0.00003373449,0.000006989644,0.0001024325,0.0004548086,0.00005719547,0.002031678],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001361381,"threshold_uncertainty_score":0.004554212,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2037344998","doi":"10.1080/00268970210162790","title":"<i>Ab initio</i>all-electron fully relativistic Dirac—Fock self-consistent field calculations for UCI<sub>6</sub>","year":2003,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":13,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Simon Fraser University","funders":"","keywords":"Relativistic quantum chemistry; Ab initio; Atomic physics; Bond length; Wave function; Bond-dissociation energy; Hartree–Fock method; Dirac equation; Chemistry; Physics; Ab initio quantum chemistry methods; Electron; Fock space; Dissociation (chemistry); Quantum mechanics; Molecule; Physical chemistry","authors":[{"name":"Gulzari Malli","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01014353006257084,"gpt":0.2479762333120716,"spread":0.2378327032495008,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004759861,0.0006460965,0.0009679976,0.001117636,0.001694589,0.0007770549,0.002036914,0.0008279221,0.01081138],"category_scores_gemma":[0.0006437905,0.0004443141,0.0007391108,0.001477011,0.0006320535,0.0005802507,0.000497608,0.001011262,0.001266504],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001483388,"about_ca_system_score_gemma":0.001034844,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00959907,"about_ca_topic_score_gemma":0.01051008,"domain_scores_codex":[0.999727,0.00006244578,0.00001175055,0.00001505552,0.0001284556,0.00005528023],"domain_scores_gemma":[0.999408,0.0001466323,0.00006656031,0.0001010466,0.0002217425,0.00005598337],"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":[0.0003534218,0.0002082374,0.003760505,0.0009972537,0.0001749276,0.0008594061,0.0003843933,0.8096131,0.02057307,0.102603,0.02522088,0.03525178],"study_design_scores_gemma":[0.00006172979,0.0001052697,0.001625779,0.0000581241,0.00002342503,0.0001081119,0.0001410335,0.9754475,0.009113507,0.008936005,0.004339135,0.00004033471],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8030674,0.001724564,0.06154503,0.001006605,0.0002788617,0.0001743719,0.005835951,0.00269446,0.1236727],"genre_scores_gemma":[0.9379054,0.0007673272,0.05023579,0.0003358191,0.00006134342,0.0002451531,0.00355746,0.0005619703,0.00632971],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01081138,"threshold_uncertainty_score":0.03616768,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2128799418","doi":"10.1080/00268970009483285","title":"Molecule-doped rare gas clusters: structure and stability of Ar <i>n</i> NO( <i>X</i> <sup>2</sup> Π <sub>1/2/3/2</sub> ), <i>n</i> ≤ 25, from new <i>ab initio</i> potential energy surfaces of ArNO","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Atomic physics; Dissociation (chemistry); Ab initio; Ab initio quantum chemistry methods; Cluster (spacecraft); Excitation; Chemistry; Bond-dissociation energy; Potential energy surface; Physics; Molecule; Physical chemistry","authors":[{"name":"Fedor Y. Naumkin","is_ca":true},{"name":"David J. Wales","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.004755619433820112,"gpt":0.1901158698235495,"spread":0.1853602503897294,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000101476,0.0001715318,0.0001909078,0.0002372991,0.0004153936,0.0003634205,0.0004843994,0.0003851404,0.001421068],"category_scores_gemma":[0.0002800734,0.0001637908,0.0001515422,0.0002096679,0.0003276277,0.0001573258,0.0001966889,0.0002661455,0.0001088994],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007409666,"about_ca_system_score_gemma":0.0002119149,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004472293,"about_ca_topic_score_gemma":0.004287815,"domain_scores_codex":[0.9999465,0.000006855932,0.000001764359,0.00001184246,0.00002163961,0.00001131012],"domain_scores_gemma":[0.9999268,0.00002317294,0.00001192614,0.000008893035,0.00001917851,0.000009960903],"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":[0.001553388,0.0001809329,0.01979316,0.0004687164,0.0001411072,0.000444322,0.001081777,0.3683125,0.5551048,0.03799547,0.001950518,0.01297346],"study_design_scores_gemma":[0.0001115721,0.0005000699,0.03116624,0.0000341605,0.00006149964,0.0001990321,0.0004373583,0.7788325,0.1804677,0.005703374,0.002426888,0.00005964327],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978498,0.00006559941,0.0004297811,0.00002789382,0.0000029726,0.000002431264,0.00006503388,0.00002124654,0.001535169],"genre_scores_gemma":[0.9988709,0.00003135204,0.0004666157,0.000006033033,9.589222e-7,0.000004933386,0.0001573326,0.000009710842,0.0004521465],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004472293,"threshold_uncertainty_score":0.008892536,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2170432354","doi":"10.1080/00268970500525713","title":"Quantum logic gates in iodine vapor using time–frequency resolved coherent anti-Stokes Raman scattering: a theoretical study","year":2006,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Quantum Information and Cryptography","field":"Computer Science","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Toronto","funders":"","keywords":"Raman scattering; Qubit; Quantum mechanics; Physics; Quantum logic; Quantum computer; Raman spectroscopy; Quantum","authors":[{"name":"David R. Glenn","is_ca":true},{"name":"Daniel A. Lidar","is_ca":true},{"name":"V. A. Apkarian","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01390922830364177,"gpt":0.2484812681205749,"spread":0.2345720398169332,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005551314,0.0002140599,0.0004514526,0.0004380477,0.00062032,0.0007103287,0.0008289266,0.0006333276,0.003225764],"category_scores_gemma":[0.001451893,0.0001926973,0.000429736,0.0003577714,0.001416315,0.0008927568,0.000372456,0.0003741951,0.0001077534],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001475302,"about_ca_system_score_gemma":0.001136218,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006818379,"about_ca_topic_score_gemma":0.004719384,"domain_scores_codex":[0.9998229,0.00004567104,0.00000432123,0.0000101816,0.00006497445,0.00005205318],"domain_scores_gemma":[0.99923,0.0005328489,0.00006789318,0.00005598013,0.00008261744,0.00003054753],"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":[0.0000939305,0.00007849504,0.0006770365,0.00007500113,0.00001840178,0.000134549,0.00007462684,0.8275153,0.006233885,0.1621831,0.0002395081,0.002676101],"study_design_scores_gemma":[0.00002163178,0.00002588333,0.00007966509,0.000003492724,0.000003899088,0.00000710638,0.00001491205,0.9948875,0.001126295,0.003671393,0.000154566,0.000003621396],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9034316,0.0003233005,0.05904472,0.0005719854,0.00003546888,0.00007737487,0.00005623417,0.00009330708,0.0363661],"genre_scores_gemma":[0.9917969,0.00008580338,0.007022034,0.0000208143,0.000005232293,0.00002671167,0.0000126473,0.00000900641,0.001020963],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006818379,"threshold_uncertainty_score":0.01355737,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2610535340","doi":"10.1080/00268976.2017.1321155","title":"Photon momentum transfer in photoionisation: unexpected breakdown of the dipole approximation","year":2017,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Laser-Matter Interactions and Applications","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Photon; Physics; Momentum (technical analysis); Discrete dipole approximation; Quantum tunnelling; Atomic physics; Momentum transfer; Ionization; Dipole; Photoionization; Atom (system on chip); Quantum electrodynamics; Quantum mechanics; Ion; Scattering","authors":[{"name":"Szczepan Chelkowski","is_ca":true},{"name":"André D. Bandrauk","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009239301953013526,"gpt":0.248168921745432,"spread":0.2389296197924184,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001176261,0.0006189425,0.0007283044,0.0007362886,0.0008986047,0.001680639,0.001285282,0.00207929,0.001540458],"category_scores_gemma":[0.002335967,0.0004976421,0.0007867058,0.0006830964,0.002947096,0.003402297,0.001537829,0.002748048,0.000570422],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001134904,"about_ca_system_score_gemma":0.0006419087,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006569063,"about_ca_topic_score_gemma":0.0002641822,"domain_scores_codex":[0.999512,0.0001284245,0.00001950598,0.00008038207,0.0001939135,0.00006584782],"domain_scores_gemma":[0.9988136,0.0008776044,0.00006509005,0.0001412626,0.00007608716,0.0000263169],"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":[0.00003501458,0.00002200525,0.0001485894,0.0004317476,0.00001441195,0.0002715326,0.0001743933,0.009938139,0.004157064,0.972504,0.0008210844,0.01148205],"study_design_scores_gemma":[0.00001497678,0.00005560643,0.000171398,0.00008439946,0.00001255385,0.0003431537,0.00003478905,0.03384808,0.003751863,0.9518845,0.009765333,0.00003330777],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1715694,0.2094033,0.3783779,0.009134131,0.002098877,0.0001074456,0.0002079467,0.0007176746,0.2283833],"genre_scores_gemma":[0.90258,0.05311802,0.03072634,0.001034533,0.0008055216,0.0001164752,0.00007338502,0.0002154205,0.01133033],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00207929,"threshold_uncertainty_score":0.008234322,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2008963504","doi":"10.1080/00268976.2015.1011247","title":"Molecular dynamic studies of the solubility of sodium chloride: fast calculations using seed crystalline cluster probe","year":2015,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"University of the Fraser Valley; Simon Fraser University","funders":"Western Canada Research Grid; University of the Fraser Valley","keywords":"Solubility; Supersaturation; Molecular dynamics; Cluster (spacecraft); Saturation (graph theory); Chemistry; Aqueous solution; Sodium; Chemical physics; Thermodynamics; Physical chemistry; Computational chemistry; Physics; Organic chemistry; Computer science; Mathematics","authors":[{"name":"Heather Wiebe","is_ca":true},{"name":"Johan Louwersheimer","is_ca":true},{"name":"Noham Weinberg","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03303784313931357,"gpt":0.3128355833889454,"spread":0.2797977402496318,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004261331,0.0004883542,0.000678195,0.000435111,0.0006167861,0.0004752691,0.001190068,0.0009133753,0.001567599],"category_scores_gemma":[0.001205614,0.0003524601,0.000434465,0.0005522788,0.0006666153,0.0009332316,0.0004893144,0.0007340845,0.0001971593],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001450707,"about_ca_system_score_gemma":0.001674588,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01004338,"about_ca_topic_score_gemma":0.007421003,"domain_scores_codex":[0.9999198,0.00001405748,0.000003248721,0.000009900262,0.0000325572,0.00002046256],"domain_scores_gemma":[0.9995295,0.0002308028,0.00003499218,0.00004421877,0.0001111054,0.00004940522],"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":[0.000172063,0.0001080961,0.001510522,0.0001189733,0.00003618157,0.0001609878,0.0001824789,0.9503584,0.02297212,0.01983552,0.0007679596,0.003776731],"study_design_scores_gemma":[0.00002174995,0.00002598532,0.000146489,0.0000028836,0.000003732891,0.000003394039,0.00001314962,0.99635,0.00244541,0.0008249077,0.0001569561,0.000005145694],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.953331,0.0001748477,0.03749562,0.0005155344,0.00003724861,0.00009632998,0.0002868278,0.0002122134,0.007850292],"genre_scores_gemma":[0.9830488,0.0002339005,0.01485204,0.00008374816,0.00001620967,0.0001935107,0.000249789,0.0001030396,0.001218965],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01004338,"threshold_uncertainty_score":0.01996982,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1973016188","doi":"10.1080/00268970802020355","title":"Characterization of palmitic and lauric acid aerosols from rapid expansion of supercritical CO <sub>2</sub> solutions","year":2008,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":true},"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Supercritical fluid; Characterization (materials science); Lauric acid; Palmitic acid; Chemistry; Materials science; Chemical engineering; Thermodynamics; Chromatography; Nanotechnology; Organic chemistry; Physics; Fatty acid; Engineering","authors":[{"name":"Moritz Gadermann","is_ca":true},{"name":"Thomas C. Preston","is_ca":true},{"name":"Charles Micah Smolkin Troster","is_ca":true},{"name":"Ruth Signorell","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01052825643236806,"gpt":0.1909962924990986,"spread":0.1804680360667306,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002569427,0.0002109396,0.0001871514,0.0005599425,0.0002450863,0.0002449579,0.0001573875,0.0002176334,0.0004815407],"category_scores_gemma":[0.0004220076,0.0001075209,0.0002007104,0.0001751163,0.0002409714,0.0002280807,0.0001790085,0.0002377939,0.0001620058],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002348669,"about_ca_system_score_gemma":0.0002249837,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001475713,"about_ca_topic_score_gemma":0.001448485,"domain_scores_codex":[0.9997631,0.00002415037,0.00001216911,0.00002694981,0.0001488808,0.00002487468],"domain_scores_gemma":[0.999787,0.00005853324,0.00002513935,0.00001428949,0.00009611134,0.00001896726],"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":[0.00003970641,0.000006624391,0.0006656337,0.00001953787,0.000004423793,0.0000304618,0.000026396,0.0001257797,0.9976579,0.00003446291,0.00001751714,0.001371558],"study_design_scores_gemma":[0.000005156147,0.00006440812,0.006393063,0.000002851807,0.00000664362,0.00005547584,0.00002150336,0.001210152,0.9917729,0.00002738951,0.000436468,0.000003980381],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953684,0.0004337327,0.002883919,0.00002027491,0.0000102695,0.00002979945,0.0001313297,0.00003313822,0.00108921],"genre_scores_gemma":[0.9957187,0.0003520637,0.002597356,0.00002505673,0.000008593896,0.00003442988,0.0003170664,0.00002248214,0.0009242601],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001475713,"threshold_uncertainty_score":0.002934217,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2149821388","doi":"10.1080/00268976.2006.10384474","title":"Diagonal perturbative triple corrections to the general‐model‐space state‐universal coupled‐cluster method: Are they warranted and useful?","year":2006,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":12,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"","keywords":"Coupled cluster; Hamiltonian (control theory); Excited state; Diagonal; Excitation; Physics; Space (punctuation); Quantum mechanics; Atomic physics; Molecule; Mathematics; Geometry; Computer science","authors":[{"name":"Xiangzhu Li","is_ca":true},{"name":"Josef Paldus","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.00831691100251436,"gpt":0.2489224801954102,"spread":0.2406055691928959,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001315848,0.0006600489,0.001067206,0.0006616873,0.0007447376,0.0008259282,0.002654443,0.0009422204,0.002892085],"category_scores_gemma":[0.00575952,0.0002537564,0.0005610542,0.001250536,0.00102386,0.001396634,0.001197098,0.001366994,0.0007418169],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007102492,"about_ca_system_score_gemma":0.001387393,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004543508,"about_ca_topic_score_gemma":0.009543849,"domain_scores_codex":[0.9992579,0.000319539,0.00002751129,0.00005383326,0.0002839684,0.00005729466],"domain_scores_gemma":[0.9981347,0.000711392,0.0001279549,0.0005314139,0.0004095389,0.00008498732],"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":[0.0002301873,0.0001826739,0.00124883,0.000415465,0.0001901776,0.0003406781,0.0002953045,0.5472057,0.007964738,0.2471453,0.005123108,0.189658],"study_design_scores_gemma":[0.000013176,0.00005226859,0.0001550375,0.00002004452,0.00001491103,0.00003545355,0.0000400269,0.965318,0.002822914,0.03034305,0.001161577,0.00002357986],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.08463032,0.0007528765,0.9011642,0.0009124761,0.0004520042,0.0001690864,0.0001269137,0.00175617,0.01003594],"genre_scores_gemma":[0.6826098,0.0009022189,0.3094222,0.0004631907,0.0001556644,0.0003284504,0.000153804,0.0006147842,0.005349897],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004543508,"threshold_uncertainty_score":0.009674966,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2128673497","doi":"10.1080/00268970110061801","title":"Millimetre wave spectrum of the weakly bound complex NH<sub>3</sub>-N<sub>2</sub>","year":2001,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"van der Waals force; Series (stratigraphy); Microwave; Millimetre wave; Chemistry; Atomic physics; Molecule; Van der Waals molecule; Spectrum (functional analysis); Spin (aerodynamics); Physics; Quantum mechanics; Optics; Thermodynamics","authors":[{"name":"Kaley A. Walker","is_ca":true},{"name":"A. R. W. McKellar","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009466481321556702,"gpt":0.2118019636600919,"spread":0.2023354823385352,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009765988,0.0001548081,0.0001546207,0.0001640431,0.0003138154,0.0001743727,0.0002727653,0.0002913095,0.004322771],"category_scores_gemma":[0.0002368151,0.00009670602,0.00006375487,0.0002949169,0.0003462368,0.0003206026,0.0002012007,0.0004167477,0.0001948133],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001378861,"about_ca_system_score_gemma":0.000047261,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002629594,"about_ca_topic_score_gemma":0.000470559,"domain_scores_codex":[0.9999439,0.000007702954,0.000001078563,0.00001285198,0.0000198798,0.00001457408],"domain_scores_gemma":[0.9997765,0.0001105733,0.00005729134,0.00001549467,0.00001738564,0.00002271825],"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":[0.0007206378,0.00004735873,0.005436688,0.0001242642,0.00003343881,0.0004838369,0.0003508127,0.0008466498,0.9811472,0.001887338,0.0003298906,0.008591997],"study_design_scores_gemma":[0.00008064735,0.001246312,0.1623894,0.00002879464,0.00005670409,0.001893748,0.0008703927,0.01524616,0.8058986,0.002232517,0.01000345,0.00005334146],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951159,0.0003405365,0.001566287,0.00006170981,0.000009686855,0.000002715149,0.00005281316,0.00001634285,0.002833918],"genre_scores_gemma":[0.9980417,0.0001240461,0.000513181,0.00003145069,0.000004813598,0.000003345079,0.00009318451,0.000008917769,0.001179232],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004322771,"threshold_uncertainty_score":0.0144611,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2127079573","doi":"10.1080/00268970009483391","title":"Test of rate theory transmission coefficient algorithms. An application to ion channels","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Guelph","funders":"","keywords":"Transition state theory; Transmission coefficient; Correctness; Transmission (telecommunications); Diffusion; Algorithm; Reaction rate constant; Channel (broadcasting); Transition rate matrix; Statistical physics; Ion; Reaction coordinate; Chemistry; Physics; Mathematics; Thermodynamics; Computer science; Statistics; Physical chemistry; Kinetics; Quantum mechanics; Telecommunications","authors":[{"name":"George White","is_ca":true},{"name":"Saul Goldman","is_ca":true},{"name":"C.G. Gray","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.005670332385056031,"gpt":0.2493026259105214,"spread":0.2436322935254653,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.01192428,0.00115085,0.0008968778,0.001938899,0.0009848648,0.001750011,0.002537821,0.002600919,0.00301076],"category_scores_gemma":[0.1207362,0.0005162841,0.0009768105,0.001281844,0.001509211,0.004581952,0.002348129,0.002376764,0.0007866459],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001594956,"about_ca_system_score_gemma":0.002683058,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003844325,"about_ca_topic_score_gemma":0.001398821,"domain_scores_codex":[0.9948657,0.002193163,0.0002867018,0.0005976525,0.001810375,0.0002464505],"domain_scores_gemma":[0.9086105,0.07391859,0.003248138,0.006390644,0.007216622,0.000615529],"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":[0.0008518122,0.0004253934,0.007628965,0.0002242888,0.0002337137,0.0001808214,0.0002572038,0.7198228,0.005601891,0.1390667,0.002836857,0.1228695],"study_design_scores_gemma":[0.00004198662,0.00006890274,0.0002859561,0.00001296151,0.000008823757,0.00006088781,0.00001778682,0.9832792,0.00275337,0.01308129,0.0003757177,0.0000130495],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.06298134,0.0003258776,0.930244,0.0005771096,0.0001343347,0.0001660627,0.0001891576,0.001670231,0.003711851],"genre_scores_gemma":[0.3871295,0.0003031601,0.6090871,0.0001942902,0.0001143344,0.000316091,0.0006308061,0.0006514816,0.001573142],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01192428,"threshold_uncertainty_score":0.06306237,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2088358686","doi":"10.1080/00268976.2012.701343","title":"The formation and stability of co-crystalline NH<sub>3</sub> · C<sub>2</sub>H<sub>2</sub> aerosol particles","year":2012,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Atmospheric Ozone and Climate","field":"Earth and Planetary Sciences","cited_by":10,"is_retracted":false,"has_abstract":true,"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; Compute Canada","keywords":"Aerosol; Infrared spectroscopy; Infrared; Phase (matter); Particle (ecology); Spectroscopy; Chemistry; Materials science; Analytical Chemistry (journal); Organic chemistry","authors":[{"name":"Thomas C. Preston","is_ca":true},{"name":"Ruth Signorell","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01189376687665789,"gpt":0.2075553216535196,"spread":0.1956615547768617,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001170686,0.0001492114,0.0001414559,0.0001540963,0.0003004018,0.0002913026,0.0002563907,0.0002417444,0.0008244386],"category_scores_gemma":[0.0002499676,0.000145071,0.0001641811,0.00008906682,0.0003261916,0.0002036356,0.0001996345,0.0002940589,0.0001246758],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003128168,"about_ca_system_score_gemma":0.0001782949,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002434699,"about_ca_topic_score_gemma":0.001683132,"domain_scores_codex":[0.99988,0.00000922887,0.000005573505,0.00003872703,0.00004167308,0.00002473286],"domain_scores_gemma":[0.999874,0.00003105207,0.00002600763,0.00001258899,0.00003556229,0.00002079894],"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":[0.000106643,0.00001424316,0.003834171,0.00001742568,0.00001506802,0.00005017325,0.00002941659,0.0002126643,0.9948356,0.00009839619,0.00002495582,0.0007612127],"study_design_scores_gemma":[0.0000119959,0.000123197,0.04338124,0.000002196224,0.00001189631,0.0001194893,0.00006422011,0.001618284,0.9541288,0.00006234062,0.0004707647,0.000005609629],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989358,0.0001502225,0.0004006118,0.000007251975,0.000005352434,0.000008406102,0.00008575762,0.000005932576,0.000400685],"genre_scores_gemma":[0.999169,0.00004830609,0.0003573884,0.000007575436,0.000003243753,0.000007773306,0.0001362182,0.000005714739,0.0002649136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002434699,"threshold_uncertainty_score":0.00484097,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4230920582","doi":"10.1080/0026897021000018376","title":"Transport properties of He-CO mixtures","year":2002,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"","keywords":"van der Waals force; Isotropy; Chemistry; Ab initio; Relaxation (psychology); Thermodynamics; Kinetic energy; Thermal conductivity; Anisotropy; Diffusion; Rotor (electric); Ab initio quantum chemistry methods; Thermal diffusivity; Physics; Classical mechanics; Quantum mechanics; Molecule","authors":[{"name":"Frederick R. W. McCourt","is_ca":true},{"name":"Marc A. ter Horst","is_ca":false},{"name":"Ellen Heck","is_ca":false},{"name":"A S Dickinson","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01238798067775565,"gpt":0.2043255764036159,"spread":0.1919375957258602,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003117904,0.0003876204,0.0003543762,0.000847586,0.0006456366,0.0007165877,0.0004263586,0.0003789208,0.001787044],"category_scores_gemma":[0.000997782,0.0002085416,0.000213098,0.0006609222,0.0004594189,0.0008810263,0.00032492,0.0003839202,0.0002220436],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000858854,"about_ca_system_score_gemma":0.0003247877,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004975313,"about_ca_topic_score_gemma":0.00161168,"domain_scores_codex":[0.9998813,0.00001405589,0.000005639356,0.00002201776,0.00003873052,0.00003829243],"domain_scores_gemma":[0.9997856,0.0000770492,0.00002837581,0.0000144565,0.00007462155,0.0000199487],"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":[0.002634301,0.0003033916,0.01286786,0.0003418871,0.0001141645,0.0009325697,0.0006581404,0.2700629,0.6463047,0.05055525,0.001180938,0.01404401],"study_design_scores_gemma":[0.00005658087,0.0002552773,0.003801169,0.00001433765,0.00003957409,0.0001564644,0.0001765218,0.6799088,0.3120704,0.002065876,0.001396902,0.00005816176],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9946507,0.0002947327,0.002857694,0.00008101789,0.00001143192,0.00001466098,0.0001542296,0.0000751558,0.001860452],"genre_scores_gemma":[0.9983686,0.0001149404,0.0004871054,0.000005301918,0.000002447987,0.000005747761,0.0001447862,0.00001661437,0.000854467],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004975313,"threshold_uncertainty_score":0.009892702,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2036392932","doi":"10.1080/00268976.2013.793840","title":"Magnetic field-induced nuclear quadrupole coupling in atomic<sup>131</sup>Xe","year":2013,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Atomic and Subatomic Physics Research","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"Memorial University of Newfoundland","keywords":"Quadrupole; Xenon; Physics; Hamiltonian (control theory); Atomic physics; Isotropy; Relativistic quantum chemistry; Quantum mechanics","authors":[{"name":"Nuha Abuzaid","is_ca":false},{"name":"Anu M. Kantola","is_ca":false},{"name":"Juha Vaara","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01108709103497577,"gpt":0.249953464742942,"spread":0.2388663737079662,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002250659,0.0001361791,0.00009355113,0.0001534195,0.0002408887,0.0001255415,0.0002802382,0.0001271319,0.001032403],"category_scores_gemma":[0.000481056,0.0001086782,0.00005882174,0.0001551452,0.000492486,0.000239989,0.0003418931,0.0001809582,0.00006023576],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002080639,"about_ca_system_score_gemma":0.0001383494,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005101205,"about_ca_topic_score_gemma":0.0008646255,"domain_scores_codex":[0.9999235,0.00002269458,0.000002390778,0.000008800873,0.0000313594,0.00001129924],"domain_scores_gemma":[0.9998156,0.0000983853,0.00004498024,0.00001510947,0.00001573339,0.00001025743],"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":[0.0008702429,0.0001946677,0.01367246,0.0006269505,0.00005612153,0.0009743182,0.0007087275,0.07043105,0.8392196,0.04753558,0.0007325441,0.02497768],"study_design_scores_gemma":[0.0001635715,0.0006540155,0.05904686,0.00004037547,0.00003836975,0.001059327,0.0004387008,0.3118806,0.6105667,0.01288987,0.00316011,0.0000616181],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995937,0.0001338483,0.00205671,0.00005733776,0.000005241643,0.000004831214,0.00001255801,0.00003487662,0.001757603],"genre_scores_gemma":[0.9993716,0.00004275039,0.00040258,0.000009347508,0.000001741027,0.000002321878,0.0000139257,0.000005387255,0.0001503772],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001032403,"threshold_uncertainty_score":0.003453791,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1989885114","doi":"10.1080/00268970009483274","title":"Infrared spectrum of the Ar-CO complex: observation of the <i>v</i> <sub>co</sub> = 2 ← 0 band at 4260 cm <sup>−1</sup>","year":2000,"lang":"en","type":"article","venue":"Molecular Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":true,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Overtone; van der Waals force; Infrared; Intermolecular force; Chemistry; Infrared spectroscopy; Spectrum (functional analysis); Spectrometer; Absorption (acoustics); Atomic physics; Analytical Chemistry (journal); Fourier transform; Absorption spectroscopy; Physics; Spectral line; Molecule; Optics","authors":[{"name":"A. R. W. McKellar","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01100061468568047,"gpt":0.2209251549895845,"spread":0.209924540303904,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006503728,0.0001639927,0.0001673794,0.0002103479,0.000249649,0.0001646795,0.0003687418,0.0003534745,0.003387152],"category_scores_gemma":[0.0001811448,0.00008029035,0.00006702868,0.0002388269,0.0002482862,0.0001997945,0.0002001829,0.0003159748,0.0003527727],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001111647,"about_ca_system_score_gemma":0.00004309448,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005107781,"about_ca_topic_score_gemma":0.0004309774,"domain_scores_codex":[0.9999243,0.000006980738,0.000001778158,0.00002210046,0.00002986271,0.00001488112],"domain_scores_gemma":[0.9999063,0.00002994845,0.00001812032,0.000007318459,0.00001885483,0.00001946238],"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":[0.000242465,0.00002672316,0.003232001,0.0000615021,0.0000131696,0.0001591206,0.00008162785,0.0001693646,0.9918411,0.000189588,0.0003466487,0.00363669],"study_design_scores_gemma":[0.00003430272,0.0004771606,0.1320584,0.00001775601,0.00004269572,0.001315093,0.0002652063,0.004937929,0.8561002,0.0003281014,0.004391395,0.00003180808],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944983,0.0002824679,0.001136972,0.0000638054,0.000008837588,0.000002833569,0.0001625592,0.00007285194,0.003771314],"genre_scores_gemma":[0.9984205,0.00005215569,0.0005042058,0.00002956632,0.000003240517,0.000003088447,0.0001619305,0.00001454594,0.0008108136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003387152,"threshold_uncertainty_score":0.01133114,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}