{"id":"W2742637259","doi":"","title":"色素増感太陽電池用高性能有機色素のキャラクタリゼーション:DFT/TDDFT研究","year":2016,"lang":"ja","type":"article","venue":"Canadian Journal of Chemistry","topic":"Military Technology and Strategies","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"","keywords":"Chemistry; Time-dependent density functional theory; Density functional theory; Computational 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":[0.0005800315,0.0005662126,0.0009808092,0.0007839686,0.001046909,0.001433149,0.002253869,0.001580236,0.01257686],"category_scores_gemma":[0.001988061,0.0003677324,0.0006021665,0.001476583,0.0008812207,0.00138558,0.0006606476,0.001671763,0.00236812],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001285815,"about_ca_system_score_gemma":0.00176444,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01132713,"about_ca_topic_score_gemma":0.01091318,"domain_scores_codex":[0.9995448,0.000104052,0.00002136531,0.00004177401,0.0002162208,0.00007178848],"domain_scores_gemma":[0.9995213,0.0001495947,0.0000219547,0.00009899964,0.0001810992,0.00002711496],"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":[0.0001734301,0.000094873,0.001041106,0.001362079,0.00009432349,0.0005760842,0.0002333808,0.2767348,0.003883875,0.5669402,0.0534439,0.09542195],"study_design_scores_gemma":[0.00007794031,0.0000476596,0.0009406872,0.000256407,0.0000545256,0.0001986616,0.0002206731,0.7659205,0.00538519,0.1934464,0.03336264,0.00008885271],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.1982995,0.01455739,0.3553157,0.01411572,0.006815379,0.0005139268,0.01050265,0.00296056,0.3969192],"genre_scores_gemma":[0.8614801,0.005156974,0.09722555,0.001414032,0.0003970693,0.0005594141,0.002866905,0.0007933415,0.03010668],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01257686,"threshold_uncertainty_score":0.04207373,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005739757609572673,"score_gpt":0.1720470099482309,"score_spread":0.1663072523386582,"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."}}