{"id":"W2749415376","doi":"","title":"CASSCFに基づく明確な配位子場モデルは遷移金属フタロシアニン(MPc;M=Mn,Fe,Co,Ni,Cu,Zn)の基底状態の電子構造を明らかにする","year":2016,"lang":"ja","type":"article","venue":"Canadian Journal of Chemistry","topic":"Metallic Glasses and Amorphous Alloys","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"","keywords":"Chemistry; Copper; Manganese; Zinc; Crystallography; Inorganic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006445494,0.0005950579,0.001459523,0.0009719108,0.003131013,0.001660988,0.002057539,0.001099113,0.02258952],"category_scores_gemma":[0.001426195,0.0004088664,0.0004773042,0.001860413,0.001158203,0.0009778058,0.0007819974,0.001628201,0.003527394],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001589693,"about_ca_system_score_gemma":0.002447722,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02930845,"about_ca_topic_score_gemma":0.03530473,"domain_scores_codex":[0.9994479,0.00006736301,0.00002440737,0.00005662951,0.0002962573,0.000107431],"domain_scores_gemma":[0.9992556,0.00009886286,0.000034261,0.0002941917,0.0002634122,0.00005363728],"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":[0.001767466,0.0001105914,0.005391384,0.001578558,0.0002300383,0.001297733,0.001043355,0.02932207,0.04189529,0.6841874,0.1209973,0.1121788],"study_design_scores_gemma":[0.001134958,0.0004341485,0.01194126,0.0005123731,0.0004105092,0.001553026,0.002319909,0.2094719,0.1191937,0.302471,0.3499266,0.0006305755],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.4191008,0.004314146,0.1357167,0.006847053,0.003198896,0.000547318,0.01490024,0.00411874,0.4112561],"genre_scores_gemma":[0.8991107,0.002881419,0.04687511,0.001592063,0.0004686066,0.0005945436,0.007266416,0.0009247335,0.04028644],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02930845,"threshold_uncertainty_score":0.07556951,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01023823756863878,"score_gpt":0.1956674839342466,"score_spread":0.1854292463656078,"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."}}