{"id":"W2072039124","doi":"10.1142/s0219633612500320","title":"THEORETICAL STUDY OF THE REGIOSELECTIVITY OF THE ADDITION OF THE TRIPLET OXYGEN ATOM TO UNSYMMETRICAL SUBSTITUTED ALKENES","year":2012,"lang":"en","type":"article","venue":"Journal of Theoretical and Computational Chemistry","topic":"Atmospheric chemistry and aerosols","field":"Earth and Planetary Sciences","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Thompson Rivers University","funders":"","keywords":"Regioselectivity; Chemistry; Carbon atom; Reactivity (psychology); Oxygen atom; Atom (system on chip); Carbon fibers; Double bond; Computational chemistry; Oxygen; Photochemistry; Addition reaction; Molecule; Ring (chemistry); Organic chemistry; Catalysis; Materials 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006168152,0.0007109857,0.001060096,0.001046995,0.001044133,0.0006688515,0.001391007,0.001093948,0.004095154],"category_scores_gemma":[0.001059347,0.0003672032,0.0009207675,0.0007755546,0.001215444,0.0008087654,0.0005617373,0.0006968938,0.0003305114],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000943711,"about_ca_system_score_gemma":0.0008377248,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003360703,"about_ca_topic_score_gemma":0.002778071,"domain_scores_codex":[0.9997616,0.00006528842,0.000005379652,0.000021339,0.00007397498,0.00007230244],"domain_scores_gemma":[0.9994431,0.0003331562,0.00005292877,0.00006130098,0.00007051339,0.00003893459],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001145119,0.0001114592,0.001081984,0.000259895,0.00003660885,0.0003776255,0.00008792708,0.921759,0.005422771,0.06682217,0.0004874268,0.003438616],"study_design_scores_gemma":[0.00003764147,0.00005385201,0.0003382619,0.000007944982,0.00001197103,0.00002965853,0.00003074813,0.990818,0.001223023,0.00722143,0.0002197603,0.000007741775],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9218467,0.000598517,0.03148076,0.0004186509,0.00005267713,0.00009259056,0.0003210125,0.0001669959,0.04502221],"genre_scores_gemma":[0.992585,0.0003320248,0.00503801,0.000060456,0.00001770543,0.0001002641,0.0001112136,0.00004218207,0.001713022],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004095154,"threshold_uncertainty_score":0.01369971,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007648689122984524,"score_gpt":0.211316044353928,"score_spread":0.2036673552309435,"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."}}