{"id":"W2043587082","doi":"10.1002/jcc.21124","title":"Stability of carbon‐centered radicals: Effect of functional groups on the energetics of addition of molecular oxygen","year":2008,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":135,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Radical; Bond-dissociation energy; Chemistry; Dissociation (chemistry); Oxygen; Density functional theory; Computational chemistry; Unpaired electron; Carbon fibers; Physical chemistry; Chemical physics; Materials science; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000349694,0.0003185652,0.0003474445,0.0003186126,0.0004007459,0.0003329145,0.0003435081,0.0003702567,0.002763417],"category_scores_gemma":[0.0008396552,0.0001502449,0.0002724739,0.00018171,0.0004070924,0.0004761073,0.0002866212,0.0003463594,0.0001917973],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002162808,"about_ca_system_score_gemma":0.0001854037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004541934,"about_ca_topic_score_gemma":0.0006711995,"domain_scores_codex":[0.999925,0.00001577331,0.000002820012,0.00001158502,0.00002267741,0.00002214578],"domain_scores_gemma":[0.9995627,0.0003241462,0.00003862377,0.00002218971,0.00003133846,0.00002108239],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002175598,0.0003626868,0.01070784,0.0008716247,0.00016824,0.0007861232,0.000313196,0.3946705,0.5389875,0.01466823,0.0004587214,0.03582975],"study_design_scores_gemma":[0.000241703,0.003310309,0.01005874,0.00006553838,0.0002004331,0.0003051388,0.0004023655,0.4816089,0.4909512,0.01001357,0.00272624,0.0001157569],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950913,0.0005756718,0.001913212,0.00009162253,0.00001648044,0.00001140074,0.00003113392,0.00002147533,0.002247687],"genre_scores_gemma":[0.9987013,0.0002686711,0.0007349097,0.00001315837,0.000003940555,0.000009281611,0.00002339297,0.000008247122,0.0002371719],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002763417,"threshold_uncertainty_score":0.009244561,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01490418267066796,"score_gpt":0.2182381639825256,"score_spread":0.2033339813118576,"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."}}