{"id":"W2085230192","doi":"10.1021/jp800139g","title":"Bond Multiplicity in Transition-Metal Complexes: Applications of Two-Electron Valence Indices","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":242,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Multiplicity (mathematics); Transition metal; Valence (chemistry); Valence electron; Electron; Valence bond theory; Metal; Generalized valence bond; Chemistry; Materials science; Chemical physics; Physics; Mathematics; Quantum mechanics; Metallurgy; Atomic orbital; Organic chemistry; Geometry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002205733,0.00009479441,0.0003541215,0.00002504482,0.00005766845,0.000002476562,0.0001727272,0.00002397548,0.0000359228],"category_scores_gemma":[0.0000375379,0.0000573321,0.0001536897,0.0001673516,0.0002231274,0.00006105766,0.00001509238,0.0002982228,0.000002487646],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002459197,"about_ca_system_score_gemma":0.00006503148,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003101242,"about_ca_topic_score_gemma":0.000001312038,"domain_scores_codex":[0.9991558,0.0000435463,0.0003283444,0.00007084601,0.0002828494,0.0001186227],"domain_scores_gemma":[0.9992529,0.000199875,0.0002296655,0.0001570283,0.0001012687,0.00005926881],"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":[0.0002520218,0.0004198036,0.0001217442,0.0001312813,0.00004142152,0.000003295105,0.001112154,0.0002168841,0.9974461,0.00002665572,0.00002660387,0.0002019941],"study_design_scores_gemma":[0.000683292,0.0001684639,0.001549358,0.0001147451,0.0001059705,0.0002800884,0.0002074139,0.0008161471,0.9953595,0.0004930436,0.0001578114,0.00006416954],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978281,0.0003999379,0.0005008258,0.0002109608,0.000002567215,0.0001067913,0.000007594135,0.000004227245,0.0009390368],"genre_scores_gemma":[0.9994918,0.00005461273,0.0001426459,0.00004497725,0.0002043772,0.000004562068,0.000002343809,0.000006829176,0.00004785989],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002086645,"threshold_uncertainty_score":0.2337935,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02688322795567683,"score_gpt":0.2819396669561675,"score_spread":0.2550564390004906,"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."}}