{"id":"W1963764661","doi":"10.1139/v05-161","title":"Valence bond calculations on the transition state for the E2 reaction of fluoride ion with ethyl fluoride Implications for the More O'Ferrall Jencks diagram","year":2005,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Transition state; Valence (chemistry); Fluoride; Ion; Valence bond theory; Atomic physics; Ground state; Computational chemistry; Crystallography; Physical chemistry; Molecular orbital; Molecule; Inorganic chemistry; Organic chemistry; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003153704,0.0001728595,0.0001702073,0.00003024046,0.0006309089,0.00005374884,0.0004376439,0.0001382479,0.00006358972],"category_scores_gemma":[0.000130445,0.00009239513,0.0002149849,0.00014995,0.000198724,0.00009829905,0.000005134735,0.0005009089,7.112619e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002753474,"about_ca_system_score_gemma":0.0007443757,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005126346,"about_ca_topic_score_gemma":0.0009596893,"domain_scores_codex":[0.99893,0.000008669029,0.0004381909,0.0001519555,0.0001755926,0.0002956304],"domain_scores_gemma":[0.997897,0.0006815161,0.0003836313,0.0004284763,0.0004316428,0.0001777691],"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":[0.0003361009,0.00007657706,0.000159352,0.0002022168,0.0006149979,0.000004560256,0.00316688,0.01969353,0.94619,0.0009412832,0.01444822,0.0141663],"study_design_scores_gemma":[0.001491489,0.000115406,0.001076545,0.0003859368,0.0006132104,0.0004069709,0.002102006,0.005808427,0.9284612,0.001851166,0.0573262,0.0003614257],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9125415,0.001663728,0.01064126,0.07221002,0.0003007171,0.0006064892,0.0006029426,0.00002252568,0.0014108],"genre_scores_gemma":[0.9980606,0.0001394414,0.0001945798,0.0002347328,0.0006192511,0.00006164356,0.00003570913,0.00002980927,0.000624247],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08551906,"threshold_uncertainty_score":0.4852505,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01472918139745902,"score_gpt":0.2323664949905213,"score_spread":0.2176373135930623,"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."}}