{"id":"W4405542569","doi":"10.1021/acs.inorgchem.4c03690","title":"Relationship between Transition-Metal Hydride Bond Lengths and Stretching Wavenumbers","year":2024,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Hydride; Transition metal; Bond length; Metal; Wavenumber; Bond; Crystallography; Computational chemistry; Photochemistry; Organic chemistry; Crystal structure; Quantum mechanics; Finance","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001214262,0.0002335218,0.00007879113,0.0004085038,0.0001113179,0.0001837198,0.000335831,0.0001750251,0.003966175],"category_scores_gemma":[0.0006248281,0.0001839366,0.00006573827,0.0002395731,0.0002104396,0.0003320096,0.0001343867,0.0004143734,0.000527013],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001036205,"about_ca_system_score_gemma":0.00007153727,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003194514,"about_ca_topic_score_gemma":0.0004595203,"domain_scores_codex":[0.9999273,0.000007851118,0.000003635404,0.00002603555,0.0000234284,0.00001177127],"domain_scores_gemma":[0.9994296,0.0003069483,0.0001357038,0.00002728117,0.00005209312,0.00004831542],"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":[0.000261429,0.00003743867,0.007530039,0.000121551,0.00002691093,0.00008426804,0.0001239183,0.0006994578,0.9731752,0.0009308334,0.0002607435,0.01674825],"study_design_scores_gemma":[0.00001968711,0.0002697465,0.108253,0.00002039022,0.00002456132,0.000491039,0.0002563638,0.007289918,0.8774468,0.00239759,0.003474453,0.00005645976],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9827757,0.001226784,0.01040441,0.0001581961,0.00004730047,0.00001304939,0.0003849383,0.0002058049,0.004783709],"genre_scores_gemma":[0.9963941,0.0002467609,0.002328185,0.00002713214,0.000006034706,0.00001257327,0.0001291217,0.000007596821,0.0008484206],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003966175,"threshold_uncertainty_score":0.01326817,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01364129722326095,"score_gpt":0.2478614707510535,"score_spread":0.2342201735277926,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}