{"id":"W2949070220","doi":"10.1063/1.5099062","title":"Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks","year":2019,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"Natural Sciences and Engineering Research Council of Canada; Carleton University","keywords":"Chromophore; Singlet fission; Alkyl; Singlet state; Carbene; Chemistry; Phenylene; Fission; Photochemistry; Crystallography; Physics; Organic chemistry; Atomic physics; Excited state; Nuclear 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":[0.0001411183,0.0002316202,0.000507005,0.00002008321,0.00005032258,0.00001122178,0.0004051029,0.00003536935,0.00002810813],"category_scores_gemma":[0.00001057213,0.0001391468,0.0001438484,0.0002113861,0.0001853988,0.0001629445,0.0001232431,0.0004377125,0.000003463797],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000452508,"about_ca_system_score_gemma":0.00005502391,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008313624,"about_ca_topic_score_gemma":1.250774e-8,"domain_scores_codex":[0.998723,0.00004083133,0.0004135577,0.0001357408,0.0004183481,0.0002685047],"domain_scores_gemma":[0.9982557,0.0004736915,0.0006665824,0.0002916099,0.0002330214,0.00007940409],"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":[0.0002019141,0.0001749827,0.0005954845,0.00002171434,0.0001938558,6.925984e-7,0.0003335285,0.01034712,0.985708,0.0004155379,0.0002157847,0.001791397],"study_design_scores_gemma":[0.0007056046,0.0001550315,0.00001819736,0.0001855427,0.0001353468,0.000003867988,0.0001403782,0.0002857406,0.9307987,0.06735534,0.0000482865,0.0001679682],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9666897,0.0001544196,0.03198205,0.00008001077,0.00005906685,0.000136395,0.000005797363,0.000007717738,0.0008848435],"genre_scores_gemma":[0.995975,0.000009156603,0.003372676,0.0000244319,0.0005509327,0.000001593055,0.000002230788,0.00003171806,0.00003224142],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0669398,"threshold_uncertainty_score":0.567424,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01113569548620325,"score_gpt":0.2378110249716885,"score_spread":0.2266753294854852,"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."}}