{"id":"W2120390128","doi":"10.1139/p00-092","title":"The ClO bond in chlorine oxides: Electronic structure and empirical force constants","year":2001,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Physics; Chlorine; Chemical bond; Molecule; Force constant; Density functional theory; Bond; Physical chemistry; Thermodynamics; Computational chemistry; Atomic physics; Quantum mechanics; Chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004743634,0.00007870048,0.0001019748,0.00004402627,0.0001186443,0.00005075005,0.0001141225,0.00004484855,0.00004600308],"category_scores_gemma":[0.00003164431,0.00006209937,0.00006514081,0.0001415328,0.00009554216,0.00007452786,0.000005420614,0.0004143825,2.2552e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001096601,"about_ca_system_score_gemma":0.0005410111,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004861517,"about_ca_topic_score_gemma":0.04640695,"domain_scores_codex":[0.9994178,0.00000818594,0.0001667743,0.00006822862,0.00007332991,0.0002656752],"domain_scores_gemma":[0.9994988,0.00005203846,0.00008777572,0.00009862465,0.00006054247,0.000202253],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0005157446,0.0001706006,0.2575671,0.0001334019,0.001194485,0.003523551,0.005048312,0.0006427752,0.4833974,0.05355005,0.02586473,0.1683918],"study_design_scores_gemma":[0.002621554,0.0002151121,0.008187152,0.0002777842,0.0001506853,0.00379903,0.003256334,0.0002792342,0.06997274,0.06991263,0.8406894,0.0006383868],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969614,0.001182765,0.00009108584,0.0004132156,0.00007316558,0.00001962468,0.00001900236,0.00000192204,0.001237804],"genre_scores_gemma":[0.9993971,0.0001718291,0.00001888041,0.0001346782,0.0001443041,5.58758e-7,0.000002475043,0.0000084119,0.0001217463],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.8148246,"threshold_uncertainty_score":0.9709936,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009322178868391295,"score_gpt":0.2453063067085285,"score_spread":0.2359841278401372,"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."}}