{"id":"W2498665214","doi":"10.1039/c6cp04670c","title":"Why are sec-alkylperoxyl bimolecular self-reactions orders of magnitude faster than the analogous reactions of tert-alkylperoxyls? The unanticipated role of CH hydrogen bond donation","year":2016,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":72,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada","funders":"Australian Research Council","keywords":"Chemistry; Hydrogen bond; Magnitude (astronomy); Computational chemistry; Chemical physics; Photochemistry; Physics; Organic chemistry; Molecule","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":[0.0001078047,0.0003831016,0.0005730317,0.00001770809,0.0001114584,0.00001712348,0.0007086869,0.0001988756,0.00009948726],"category_scores_gemma":[0.0001440571,0.0002249269,0.0004964173,0.0004467816,0.0007424686,0.0001482966,0.0001778864,0.000412958,0.000006473176],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007604823,"about_ca_system_score_gemma":0.00007493196,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000150323,"about_ca_topic_score_gemma":0.000002531559,"domain_scores_codex":[0.9977466,0.00003393049,0.0006790744,0.0004604617,0.0006555984,0.0004243547],"domain_scores_gemma":[0.9974558,0.0004239931,0.000723978,0.0009279981,0.0003324136,0.0001358708],"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":[0.00005076762,0.001212385,0.0005053739,0.0004437388,0.0003495167,0.000001365755,0.0001798061,0.00004461283,0.996141,0.000288889,0.0001379385,0.0006445827],"study_design_scores_gemma":[0.000658789,0.00001744874,0.000158071,0.0002976424,0.0002860894,0.000007256929,0.0002135706,0.001128473,0.9923655,0.003507409,0.001086375,0.0002733503],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961411,0.00008216903,0.0001135733,0.000641048,0.00001859351,0.0001235364,0.0002202282,0.0000709414,0.002588784],"genre_scores_gemma":[0.9993039,0.00003735152,0.00005667633,0.00004542861,0.0003228601,0.00003796606,0.00005304428,0.00005568878,0.00008705819],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003775499,"threshold_uncertainty_score":0.9172252,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009075770756400444,"score_gpt":0.2234362094232034,"score_spread":0.2143604386668029,"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."}}