{"id":"W2120329172","doi":"10.1002/chem.201404004","title":"Alkali‐Metal Ion Catalysis and Inhibition in S<sub>N</sub>Ar Displacement: Relative Stabilization of Ground State and Transition State Determines Catalysis and Inhibition in S<sub>N</sub>Ar Reactivity","year":2014,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; National Research Foundation of Korea","keywords":"Chemistry; Catalysis; Alkali metal; Reactivity (psychology); Reaction rate constant; Ion; Transition metal; Physical chemistry; Ground state; Transition state; Photochemistry; Kinetics; Organic chemistry; Atomic physics; Physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003168013,0.0004401313,0.0003411713,0.0001272363,0.0001195282,0.0004599302,0.0004584694,0.0003607995,0.001256328],"category_scores_gemma":[0.0004151371,0.0001748934,0.0004105931,0.0001127889,0.0004081974,0.0004630958,0.0002737478,0.0005714709,0.0005647929],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003077046,"about_ca_system_score_gemma":0.0001497536,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008334049,"about_ca_topic_score_gemma":0.0008807103,"domain_scores_codex":[0.9997619,0.00003042431,0.00001579037,0.00006434197,0.00008306451,0.00004460772],"domain_scores_gemma":[0.9996816,0.0001057888,0.00009414749,0.00002864037,0.0000702164,0.00001970191],"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":[0.000199464,0.0000203534,0.002376088,0.00007772216,0.00001809629,0.00005376433,0.00005891761,0.0003225645,0.9931135,0.0003789619,0.00005138111,0.003329125],"study_design_scores_gemma":[0.000004161343,0.0001906292,0.0081216,0.000003702654,0.00001247027,0.0001482818,0.00004495815,0.002197499,0.9881975,0.0001408675,0.0009298676,0.000008486306],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9901484,0.001556407,0.00452923,0.00009861977,0.00002011844,0.00001364728,0.0001356454,0.0001124787,0.003385441],"genre_scores_gemma":[0.9976108,0.0005958088,0.0009028115,0.0000241831,0.000004264413,0.000008287264,0.0001433729,0.00001282565,0.0006975661],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001256328,"threshold_uncertainty_score":0.004202783,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007219417164853055,"score_gpt":0.1986611854827259,"score_spread":0.1914417683178729,"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."}}