{"id":"W2090285741","doi":"10.1021/ja0500409","title":"A Theoretical Study of the Iminoxyl/Oxime Self-Exchange Reaction. A Five-Center, Cyclic Proton-Coupled Electron Transfer","year":2005,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":75,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology","funders":"","keywords":"Chemistry; Steric effects; Electron transfer; Proton-coupled electron transfer; Radical; Proton; Crystallography; Atomic orbital; Molecular orbital; Photochemistry; Concerted reaction; Electron; Computational chemistry; Stereochemistry; Molecule; Organic chemistry","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":[0.0002840705,0.0002881809,0.0005989197,0.00001058931,0.0001991236,0.00001887318,0.0009164382,0.00009629151,0.0001161179],"category_scores_gemma":[0.00005843211,0.0001646855,0.0009696355,0.0003516356,0.0006545432,0.00008015255,0.0001036984,0.00113761,0.000001269791],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003363815,"about_ca_system_score_gemma":0.000109312,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002532278,"about_ca_topic_score_gemma":0.000002468888,"domain_scores_codex":[0.9978929,0.00007124604,0.0006473263,0.000250518,0.0006698918,0.0004680852],"domain_scores_gemma":[0.9987852,0.0001443387,0.0003663765,0.0004418524,0.000151478,0.0001107569],"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":[0.0003972703,0.002330087,0.001492814,0.00009798663,0.0007206607,9.623465e-7,0.003517168,0.000003231557,0.9905991,0.00001786266,0.0006128331,0.0002100387],"study_design_scores_gemma":[0.002166462,0.0002313326,0.0005211963,0.00006648791,0.0003517239,0.00009718473,0.00158163,0.0001310568,0.9935967,0.0001094085,0.0009535784,0.0001932408],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969359,0.0001599092,0.000009405297,0.001873673,0.00003505523,0.0003667133,0.000009266582,0.00002726746,0.0005827833],"genre_scores_gemma":[0.9988237,0.000218525,0.00006703303,0.0003324994,0.0003795208,0.00007296803,7.107042e-7,0.0000277515,0.00007731133],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002997613,"threshold_uncertainty_score":0.6715681,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006771838542565948,"score_gpt":0.2425044190567955,"score_spread":0.2357325805142296,"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."}}