{"id":"W3184194309","doi":"10.1021/jacs.1c04069","title":"C–H Activation by RuCo<sub>3</sub>O<sub>4</sub> Oxo Cubanes: Effects of Oxyl Radical Character and Metal–Metal Cooperativity","year":2021,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Basic Energy Sciences; National Institutes of Health; Norges Forskningsråd; Natural Sciences and Engineering Research Council of Canada; Government of Canada","keywords":"Chemistry; Cubane; Reactivity (psychology); Steric effects; Radical; Density functional theory; Photochemistry; Radical ion; Stereochemistry; Ligand (biochemistry); Electron transfer; Crystallography; Computational chemistry; Crystal structure; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001152394,0.0001830647,0.0001855439,0.0000621651,0.0001178909,0.0003013504,0.000232695,0.000136635,0.001043432],"category_scores_gemma":[0.0001423095,0.0001524771,0.00007001677,0.00006394288,0.0002032285,0.0002162263,0.0002031021,0.0002861401,0.0001276131],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002814458,"about_ca_system_score_gemma":0.0001687663,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009366371,"about_ca_topic_score_gemma":0.001501026,"domain_scores_codex":[0.999957,0.00000637522,0.000002021164,0.000009060546,0.000006354618,0.00001921406],"domain_scores_gemma":[0.9999454,0.00001740155,0.00001747482,0.000004339101,0.000005759101,0.000009573705],"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":[0.00124501,0.0001619199,0.001927038,0.000493629,0.00003469348,0.0002957908,0.0002214063,0.003579929,0.9791175,0.002449395,0.0004754559,0.009998227],"study_design_scores_gemma":[0.00007638438,0.0005277111,0.003037082,0.00001827951,0.00002917539,0.0001784003,0.0001901734,0.02419226,0.9687355,0.0004619203,0.002529344,0.00002384377],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9980033,0.0004132154,0.0003073225,0.00003719427,0.000006967021,0.000006156495,0.00002076631,0.00001586037,0.001189164],"genre_scores_gemma":[0.9993414,0.0001680603,0.0002107265,0.000009436355,0.000001642307,0.000005350147,0.00002267847,0.000005078012,0.0002356433],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001043432,"threshold_uncertainty_score":0.003490627,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006408491855776355,"score_gpt":0.2183730993348002,"score_spread":0.2119646074790239,"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."}}