{"id":"W1991623548","doi":"10.1021/jp051349h","title":"A Theoretical, Spectroscopic, and Photophysical Study of 2,7-Carbazolenevinylene-Based Conjugated Derivatives","year":2005,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":118,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Université Laval","funders":"","keywords":"Time-dependent density functional theory; Density functional theory; Excited state; Chemistry; Molecular orbital; Ground state; Singlet state; Electronic structure; Molecular physics; Molecular electronic transition; Atomic electron transition; Absorption spectroscopy; Molecular geometry; HOMO/LUMO; Atomic physics; Computational chemistry; Spectral line; Molecule; Physics; Optics","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":[0.00006971855,0.0001812613,0.0001984978,0.0001298477,0.0002049492,0.00020023,0.0002497275,0.0002557588,0.00100552],"category_scores_gemma":[0.0001663137,0.00007268682,0.0001245799,0.00023699,0.0002289149,0.0002060031,0.00009264905,0.0003206677,0.00009335365],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004128912,"about_ca_system_score_gemma":0.0002245715,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001306792,"about_ca_topic_score_gemma":0.001381913,"domain_scores_codex":[0.9999365,0.000007878418,0.000001812836,0.00001207163,0.00003161002,0.00001021947],"domain_scores_gemma":[0.9999523,0.00002161851,0.000007506839,0.000003062013,0.00001044986,0.000004957593],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00004844117,0.00005496364,0.0004389617,0.0001367947,0.00001145065,0.0001715151,0.00003788773,0.009154315,0.981935,0.001759419,0.0000788863,0.006172302],"study_design_scores_gemma":[0.00001605114,0.0004666248,0.00318814,0.00001016503,0.00002356916,0.0002509756,0.00008393981,0.07696694,0.9161282,0.0004476354,0.002398906,0.00001891904],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993778,0.0009495223,0.002901547,0.0000499967,0.000004645266,0.000008327158,0.00005565505,0.0000135454,0.002238797],"genre_scores_gemma":[0.9961648,0.0005716045,0.002514067,0.000009859246,0.00000253797,0.000007499124,0.00008694969,0.000003172771,0.0006396144],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001306792,"threshold_uncertainty_score":0.003363848,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007766608957453597,"score_gpt":0.2496014728983301,"score_spread":0.2418348639408765,"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."}}