{"id":"W4388272418","doi":"10.1021/prechem.3c00082","title":"Catalyzing Singlet Fission by Transition Metals: Second versus Third Row Effects","year":2023,"lang":"en","type":"article","venue":"Precision Chemistry","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"China Scholarship Council; Canada Foundation for Innovation; Natural Sciences and Engineering Research Council of Canada; Bayerisches Staatsministerium für Wissenschaft und Kunst; Solar Technologies go Hybrid","keywords":"Chemistry; Palladium; Singlet fission; Intersystem crossing; Intramolecular force; Singlet state; Dimer; Photochemistry; Excited state; Triplet state; Population; Platinum; Stereochemistry; Atomic physics; Molecule; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001166164,0.0002947753,0.0001621392,0.000175,0.0001386705,0.0004082832,0.0002944095,0.0002850425,0.003186263],"category_scores_gemma":[0.000184875,0.0001796141,0.0001558515,0.0001374637,0.0001920784,0.0003276468,0.0001936937,0.0004723474,0.0005781204],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002902278,"about_ca_system_score_gemma":0.0001390524,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00047474,"about_ca_topic_score_gemma":0.000539769,"domain_scores_codex":[0.9999136,0.000006501564,0.000003285544,0.00003303823,0.00002413195,0.00001951099],"domain_scores_gemma":[0.9999174,0.00002620535,0.00002032779,0.00001323094,0.00001177262,0.00001101368],"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":[0.00005571016,0.000006644474,0.0001086244,0.00003131265,0.000002393149,0.00003528576,0.0000164478,0.00006291632,0.9966404,0.0001503063,0.0001008466,0.002789077],"study_design_scores_gemma":[0.000003489603,0.00004487296,0.0005711842,0.000001874697,0.000002467044,0.00006690606,0.000009926988,0.001061049,0.9974692,0.00003765426,0.0007288007,0.000002601161],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9735942,0.0008690419,0.01826475,0.0001920514,0.00003689061,0.00002907334,0.0003708029,0.000660749,0.00598244],"genre_scores_gemma":[0.9805392,0.0006339617,0.01284653,0.00005301277,0.00001077603,0.00003729765,0.0003467646,0.00008669763,0.00544572],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003186263,"threshold_uncertainty_score":0.0106591,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006669110282720965,"score_gpt":0.2150602083583596,"score_spread":0.2083910980756386,"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."}}