{"id":"W3008517802","doi":"10.1021/acs.inorgchem.9b03175","title":"Tuning Inner-Sphere Electron Transfer in a Series of Copper/Nitrosoarene Adducts","year":2020,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"Natural Sciences and Engineering Research Council of Canada; Agence Nationale de la Recherche","keywords":"Chemistry; Adduct; Moiety; Nitrosobenzene; Density functional theory; Crystallography; Electron transfer; Copper; Electrochemistry; Electron paramagnetic resonance; Stereochemistry; Photochemistry; Computational chemistry; Physical chemistry; Nuclear magnetic resonance; Electrode; 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":[0.0001602092,0.0003210191,0.0002148994,0.0001424905,0.0001254717,0.0002668974,0.0003973182,0.0002668893,0.001112205],"category_scores_gemma":[0.0002638972,0.0001868926,0.000114199,0.0001689927,0.0001900196,0.000214554,0.0003119766,0.0003488423,0.000308754],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003482824,"about_ca_system_score_gemma":0.0001190143,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000418164,"about_ca_topic_score_gemma":0.0008883792,"domain_scores_codex":[0.9998602,0.00002390204,0.000009452531,0.00003566199,0.000036474,0.00003439193],"domain_scores_gemma":[0.9998922,0.00001471981,0.00003022488,0.00001325049,0.00002470369,0.00002487234],"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":[0.0002337286,0.00008956857,0.0003375212,0.0001534192,0.00003300692,0.0001318968,0.0001121271,0.001010953,0.9931941,0.0009486531,0.0002938073,0.00346115],"study_design_scores_gemma":[0.00002917115,0.0004858996,0.0006249742,0.000007319605,0.00001664682,0.00008461745,0.00002509959,0.001972146,0.9929818,0.00008270074,0.003678417,0.00001120494],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9957199,0.0003046611,0.002056939,0.00003226684,0.00001984266,0.00002867235,0.00005166484,0.00007119645,0.001714971],"genre_scores_gemma":[0.9961985,0.0002980993,0.002166189,0.00002777011,0.000004706755,0.00002609527,0.00008683644,0.00002646562,0.001165259],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001112205,"threshold_uncertainty_score":0.003720641,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01453868522826494,"score_gpt":0.2134167263626001,"score_spread":0.1988780411343351,"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."}}