{"id":"W2041323973","doi":"10.1139/v00-004","title":"Benzooxirene, naphthooxirenes, and anthraceneoxirenes: the stabilization of the oxirene system by bond fixation in acenes. A comparison of ab initio and DFT in the investigation of annelated oxirenes","year":2000,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Organic Chemistry Cycloaddition Reactions","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Ab initio; Bond order; Carbene; Ring (chemistry); Computational chemistry; Bond length; Crystallography; Stereochemistry; Crystal structure","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001436734,0.0002636834,0.0002196864,0.0001159197,0.0002560455,0.0002282789,0.0003657769,0.0002570192,0.00374446],"category_scores_gemma":[0.0002387747,0.0001478382,0.0002020755,0.00009566509,0.0001694238,0.0003621945,0.0002036051,0.0003152115,0.0002277282],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00027936,"about_ca_system_score_gemma":0.0002245473,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001365257,"about_ca_topic_score_gemma":0.00331309,"domain_scores_codex":[0.9999661,0.00000528383,0.000001145418,0.000006163782,0.00001279469,0.000008471613],"domain_scores_gemma":[0.9999311,0.00003304165,0.00001100502,0.000007341464,0.00001101483,0.00000655334],"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":[0.001060357,0.0003002735,0.009718084,0.001933088,0.0001414887,0.001062197,0.000548403,0.4261077,0.4829233,0.03536063,0.001212672,0.03963185],"study_design_scores_gemma":[0.0001988527,0.001573342,0.01316048,0.0001202159,0.0001033648,0.0003191073,0.000562239,0.7483842,0.2218058,0.005502935,0.008207407,0.00006210982],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9887798,0.0005763588,0.002994855,0.0000468881,0.00001153786,0.00001908836,0.0001760077,0.00003325892,0.007362131],"genre_scores_gemma":[0.9956852,0.00042455,0.002522692,0.00001334566,0.000002864881,0.00002572595,0.0001567114,0.00001618771,0.001152824],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00374446,"threshold_uncertainty_score":0.01252645,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008533970146561522,"score_gpt":0.2059523807085817,"score_spread":0.1974184105620202,"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."}}