{"id":"W2329280090","doi":"10.1021/jo500789v","title":"Importance of π-Stacking Interactions in the Hydrogen Atom Transfer Reactions from Activated Phenols to Short-Lived <i>N</i>-Oxyl Radicals","year":2014,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; Okanagan University College; University of British Columbia, Okanagan Campus; University of British Columbia","funders":"Army Research Office","keywords":"Chemistry; Radical; Hydrogen atom; Flash photolysis; Phenols; Photochemistry; Hydrogen atom abstraction; Bond-dissociation energy; Hydrogen bond; Medicinal chemistry; Dissociation (chemistry); Reaction rate constant; Organic chemistry; Molecule; Kinetics","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":[0.0001966597,0.0002550796,0.0001248847,0.00007192793,0.0001400237,0.0001490733,0.0002230428,0.0002262177,0.001010646],"category_scores_gemma":[0.0002404145,0.0001110775,0.000187447,0.00006644979,0.0002347537,0.0003251611,0.0001187834,0.0003124543,0.000157817],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002414827,"about_ca_system_score_gemma":0.0001534531,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004732623,"about_ca_topic_score_gemma":0.00061273,"domain_scores_codex":[0.9999429,0.000009191277,0.000002521085,0.00001216008,0.0000116316,0.00002155044],"domain_scores_gemma":[0.9998574,0.00006147095,0.00004074635,0.000006533176,0.00001791078,0.00001591395],"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":[0.0003151679,0.00004312947,0.0008450256,0.0001562304,0.00001948788,0.00009270127,0.00009813436,0.001365785,0.9934401,0.0004601446,0.00003240458,0.003131655],"study_design_scores_gemma":[0.00001796016,0.000454552,0.003912996,0.00000793724,0.00001890619,0.00007229783,0.00008496503,0.005226949,0.9894392,0.0001937146,0.0005581469,0.00001243668],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.997622,0.0004835987,0.001197945,0.00002653639,0.000006310691,0.00001024769,0.00004652141,0.00001192678,0.0005950045],"genre_scores_gemma":[0.9993473,0.0001545894,0.0002476008,0.000004699243,0.000001166472,0.000005278973,0.0000349145,0.000002158616,0.0002023366],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001010646,"threshold_uncertainty_score":0.003380954,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02068643104605544,"score_gpt":0.2600171432396606,"score_spread":0.2393307121936051,"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."}}