{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0006149762,0.0006989731,0.0009631927,0.0002369071,0.0002168174,0.0002724747,0.001186801,0.0006025807,0.01474476],"category_scores_gemma":[0.0003980989,0.0005820814,0.0006148082,0.0003276571,0.0002803743,0.0004078772,0.00003766304,0.0009563274,0.0004515318],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001014312,"about_ca_system_score_gemma":0.002634925,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002478745,"about_ca_topic_score_gemma":0.003143488,"domain_scores_codex":[0.9960887,0.00005669193,0.001368009,0.0004318137,0.0005750288,0.001479731],"domain_scores_gemma":[0.9947358,0.0001573701,0.0006049274,0.0007992941,0.000390198,0.003312417],"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":[0.00004994915,0.00007547023,0.002701544,0.0009819388,0.001300208,0.006276258,0.0008263486,0.0004091317,0.6969115,0.0001121828,0.2763047,0.0140508],"study_design_scores_gemma":[0.002504712,0.000131542,0.0008769137,0.001860047,0.0002960292,0.003404322,0.0006396133,0.0001617903,0.2030868,0.0003680601,0.785232,0.001438161],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9472953,0.008497831,0.0004196615,0.003065002,0.004016098,0.0001649683,0.0004801828,0.00005731736,0.03600366],"genre_scores_gemma":[0.9811054,0.0008634957,0.0003443929,0.000190814,0.002899508,0.000003858278,0.00001248797,0.0001885227,0.01439151],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5089273,"threshold_uncertainty_score":0.9996631,"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."}}