{"id":"W4411152662","doi":"10.26434/chemrxiv-2025-cq14f","title":"Photobasicity-Triggered Twisted Intramolecular Charge Transfer of Push-Pull Chromophores","year":2025,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Photochromic and Fluorescence Chemistry","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph; University of Lethbridge","funders":"Alliance de recherche numérique du Canada; Alberta Innovates; Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; University of Lethbridge","keywords":"Intramolecular force; Chromophore; Charge (physics); Transfer (computing); Push pull; Chemistry; Physics; Photochemistry; Stereochemistry; Computer science; Electrical engineering; Engineering; Quantum mechanics","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":[0.0001959742,0.0002630943,0.000171284,0.00008756368,0.0001358638,0.0003021061,0.0002669613,0.0002329914,0.002099199],"category_scores_gemma":[0.0002746288,0.000159898,0.0001523891,0.0001035764,0.0003063085,0.0004795691,0.000371677,0.000657958,0.0002389036],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000252756,"about_ca_system_score_gemma":0.0001171547,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002635756,"about_ca_topic_score_gemma":0.000362298,"domain_scores_codex":[0.9999181,0.000008862073,0.000003257247,0.00001910409,0.00001817062,0.00003257774],"domain_scores_gemma":[0.9999059,0.00003846874,0.00002048897,0.000008944511,0.000009484597,0.00001655816],"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":[0.0001121862,0.00003636115,0.0001630764,0.0001270517,0.00001151512,0.00009629081,0.00007009308,0.0009308821,0.9938183,0.001314716,0.0002096998,0.003109864],"study_design_scores_gemma":[0.00001584252,0.0001146804,0.0004155782,0.000005001192,0.000005903116,0.00004263791,0.00003393524,0.006523977,0.9916251,0.0001954385,0.001010904,0.00001101343],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954726,0.000231048,0.002849136,0.00005605843,0.0000176327,0.00001211151,0.00006853654,0.00006979638,0.00122285],"genre_scores_gemma":[0.9979464,0.0002293264,0.0009954942,0.00003255206,0.000003220762,0.00001558395,0.00005297657,0.00002134804,0.0007030907],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002099199,"threshold_uncertainty_score":0.0070225,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01451134208305145,"score_gpt":0.2457984631951575,"score_spread":0.2312871211121061,"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."}}