{"id":"W2045910817","doi":"10.1021/jp804792x","title":"Photophysics of Soret-Excited Tetrapyrroles in Solution. II. Effects of Perdeuteration, Substituent Nature and Position, and Macrocycle Structure and Conformation in Zinc(II) Porphyrins","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":66,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"","keywords":"Excited state; Chemistry; Population; Vibrational energy relaxation; Relaxation (psychology); Internal conversion; Atomic physics; Quantum yield; Fluorescence; Spectral line; Physics; Quantum mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000096351,0.00011189,0.0002505497,0.00002341239,0.00008270255,0.000006786471,0.00009633019,0.00008124719,0.000007674404],"category_scores_gemma":[0.00003938087,0.00008249337,0.00002857583,0.0001039783,0.0002521906,0.000176956,0.00005719712,0.0002572717,4.539899e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002522675,"about_ca_system_score_gemma":0.00005172014,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001493062,"about_ca_topic_score_gemma":0.000001302082,"domain_scores_codex":[0.9993104,0.00002627889,0.0002942089,0.00008289412,0.00018331,0.0001029628],"domain_scores_gemma":[0.9993989,0.00008268188,0.0002806027,0.00008927683,0.0000990674,0.00004947819],"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":[0.0001129327,0.00008890285,0.000355396,0.0003281791,0.000007962365,0.000006827645,0.002034317,0.0001632327,0.9968076,0.00006284223,0.00001381266,0.00001799276],"study_design_scores_gemma":[0.0008671691,0.00007521616,0.01209693,0.0001668664,0.00002002259,0.0002549965,0.0000686998,0.001383622,0.9842232,0.0007643593,0.000002548793,0.00007633817],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9993901,0.0003579106,0.0000237024,0.00006658183,0.00001201556,0.00006683099,0.00002380627,0.000002639589,0.00005643178],"genre_scores_gemma":[0.9997506,0.0001032045,0.0000478689,0.0000177418,0.0000629955,7.57019e-7,0.000006907091,0.000004338504,0.000005561252],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01258438,"threshold_uncertainty_score":0.3363982,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003200738502801779,"score_gpt":0.2080159893338308,"score_spread":0.204815250831029,"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."}}