{"id":"W2050321435","doi":"10.1021/ic011003v","title":"Chemical Bonding in Hypervalent Molecules:  Is the Octet Rule Relevant?","year":2002,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":153,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Hypervalent molecule; Chemistry; Valence (chemistry); Open shell; Population; Valence electron; Electronegativity; Atom (system on chip); Ligand (biochemistry); Core electron; Molecule; Atomic physics; Crystallography; Computational chemistry; Electron; Physics; Quantum mechanics; Physical chemistry","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00005934741,0.0002365059,0.0001860821,0.00002597756,0.0001023344,0.00005930455,0.0004499354,0.0002152256,0.009535799],"category_scores_gemma":[0.0001254627,0.0002115553,0.0002066236,0.0002865068,0.0001130777,0.0000626465,0.0001368628,0.0006450645,0.00008226408],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001391027,"about_ca_system_score_gemma":0.00002157831,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002345275,"about_ca_topic_score_gemma":0.000003534747,"domain_scores_codex":[0.9985832,0.000009481394,0.0003454426,0.0004180115,0.0002566332,0.0003872561],"domain_scores_gemma":[0.999035,0.00008992253,0.0000929539,0.0006444689,0.00003686431,0.0001008015],"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":[0.000007211344,0.0001586489,0.0005319089,0.00008736306,0.00004057748,0.00005063998,0.0004806052,0.000001220569,0.9938127,0.00003870197,0.004278881,0.0005115752],"study_design_scores_gemma":[0.0004198448,0.00000207449,0.00002877312,0.00009321747,0.00003188089,0.0002022001,0.0006126623,0.0001886664,0.9413936,0.0001612606,0.05660511,0.0002607403],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9320025,0.0008027703,0.00001032732,0.001536158,0.00005683844,0.00004898474,0.00004128626,0.0001027286,0.06539839],"genre_scores_gemma":[0.9927431,0.000110419,0.0000733409,0.000400442,0.0001506289,0.00002876495,0.00002855989,0.00003936504,0.006425386],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06074057,"threshold_uncertainty_score":0.9913696,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01129278100153715,"score_gpt":0.2176214109841862,"score_spread":0.2063286299826491,"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."}}