{"id":"W6884481646","doi":"10.1021/jp5059148.s001","title":"Electronic\\nExcited State Redox Properties for BODIPY\\nDyes Predicted from Hammett Constants: Estimating the Driving Force\\nof Photoinduced Electron Transfer","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Substituent; Hammett equation; HOMO/LUMO; Excited state; Acetonitrile; Redox; Density functional theory; BODIPY","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003379238,0.0002600433,0.0001971232,0.0002292967,0.0001336509,0.0003313279,0.0003464441,0.0002804635,0.0006773166],"category_scores_gemma":[0.0006408356,0.0001674529,0.0002322916,0.0001271921,0.0001593091,0.0004407697,0.0001573359,0.0002988133,0.0001257294],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005003907,"about_ca_system_score_gemma":0.000353942,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001513022,"about_ca_topic_score_gemma":0.004003243,"domain_scores_codex":[0.9999599,0.000007007053,0.000002528018,0.00001267909,0.00001192427,0.000005919214],"domain_scores_gemma":[0.9998683,0.00008416988,0.00001909652,0.00001014963,0.00001382698,0.000004485659],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001350692,0.0001815173,0.01955843,0.0003053939,0.0001076467,0.0001744024,0.0001329755,0.7017517,0.2029594,0.02826582,0.0004075338,0.04602004],"study_design_scores_gemma":[0.000008101562,0.00008567159,0.00318463,0.00001046932,0.00001656697,0.00003538476,0.00003005782,0.9500933,0.04351112,0.002571305,0.000437415,0.00001595725],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9081417,0.0006259582,0.08851027,0.00009069176,0.00001605434,0.00002764935,0.0002332137,0.00008402621,0.002270528],"genre_scores_gemma":[0.9751074,0.0005742129,0.0227604,0.00002841818,0.000003128438,0.00004562797,0.0002201593,0.00001251792,0.001248042],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001513022,"threshold_uncertainty_score":0.003630638,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0250133840269301,"score_gpt":0.2389630633146587,"score_spread":0.2139496792877286,"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."}}