{"id":"W4319058447","doi":"10.1039/d2cp05010b","title":"Optical and computational study of the <i>trans</i> ↔ <i>cis</i> reversible isomerization of the commercial bis-azo dye Bismarck Brown Y","year":2023,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Photochromic and Fluorescence Chemistry","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University; McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; McGill University","keywords":"Isomerization; Azobenzene; Reaction rate constant; Chemistry; Photochemistry; Relaxation (psychology); Irradiation; Photochromism; Thermal; Kinetics; Molecule; Physical chemistry; Catalysis; Organic chemistry; Thermodynamics; Physics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000986755,0.0002131254,0.0003644299,0.000005661691,0.0001279259,0.0000213567,0.0006436913,0.00008569861,0.0000165892],"category_scores_gemma":[0.00009026787,0.0001482621,0.0001589974,0.0006066075,0.0007863754,0.00009155703,0.000428279,0.0002807799,0.000003564224],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000360442,"about_ca_system_score_gemma":0.00009862037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001597242,"about_ca_topic_score_gemma":2.024799e-7,"domain_scores_codex":[0.9983801,0.0000336054,0.0003432691,0.0003693755,0.0006054473,0.0002681509],"domain_scores_gemma":[0.9988828,0.0002604881,0.000203498,0.000451738,0.0001130406,0.00008845142],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00004356227,0.0006327266,0.0004930545,0.0001994113,0.00001653131,3.760899e-7,0.0004313166,0.0007429916,0.9968656,0.00005857528,0.0004477968,0.00006811418],"study_design_scores_gemma":[0.0006992017,0.00001943297,0.0009163748,0.00006102612,0.00006238506,0.000001509584,0.0001358318,0.002416952,0.9938665,0.001641765,0.00001976646,0.0001592547],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9987209,0.000004091426,0.0001256949,0.0001980633,0.00005303967,0.0002560912,0.0001067158,0.00004226402,0.0004930675],"genre_scores_gemma":[0.9995621,0.000001987598,0.00004222587,0.00006006105,0.0002194498,0.00002055368,0.00002809714,0.00001963852,0.00004582118],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002999043,"threshold_uncertainty_score":0.6045954,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01430628911798146,"score_gpt":0.2385170468364878,"score_spread":0.2242107577185063,"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."}}