{"id":"W2316633771","doi":"10.1021/jo5013459","title":"Absolute Rate Constants for Hydrogen Atom Transfer from Tertiary Amides to the Cumyloxyl Radical: Evaluating the Role of Stereoelectronic Effects","year":2014,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of British Columbia, Okanagan Campus; University of British Columbia","funders":"","keywords":"Hydrogen atom; Chemistry; Reaction rate constant; Atom (system on chip); Hydrogen; Transfer (computing); Stereochemistry; Computational chemistry; Medicinal chemistry; Organic chemistry; Group (periodic table); Kinetics; Physics; Engineering; Quantum mechanics; Computer science","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":[0.001452177,0.0002574108,0.0004155952,0.0000133655,0.0002215317,0.0000350466,0.001267207,0.0001588985,0.0006926698],"category_scores_gemma":[0.001333636,0.0001336479,0.0002870747,0.0001672997,0.0003243607,0.00006156455,0.00008559474,0.0008220803,0.000009621172],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001730873,"about_ca_system_score_gemma":0.0002519036,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002157499,"about_ca_topic_score_gemma":0.000005585813,"domain_scores_codex":[0.9979554,0.0001409954,0.0007585922,0.0002028832,0.0005241845,0.0004179484],"domain_scores_gemma":[0.9945735,0.004031315,0.0003606835,0.0006845201,0.0001527015,0.0001972818],"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":[0.0003126332,0.00006354754,0.00004335476,0.00007233865,0.000315609,8.468318e-7,0.0004018414,0.00004172287,0.9949368,0.000007635487,0.0002792064,0.003524481],"study_design_scores_gemma":[0.001076258,0.00007610094,0.0000691328,0.0002070205,0.0004953301,0.00008382509,0.0002657225,0.001300597,0.9891993,0.002705802,0.004366102,0.0001547662],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9946328,0.00122871,0.001685672,0.001538437,0.00005195617,0.0003120036,0.00003243724,0.000021358,0.0004965573],"genre_scores_gemma":[0.9987658,0.00006435753,0.00009600606,0.0003320376,0.000544513,0.00002885977,0.000005905375,0.00005399669,0.000108546],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005737439,"threshold_uncertainty_score":0.7584249,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008312950711525898,"score_gpt":0.2519121401874723,"score_spread":0.2435991894759464,"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."}}