{"id":"W2318716823","doi":"10.1021/je1005032","title":"Spectrophotometric Determination and Linear Free Energy Relationship Analysis of Acidity Constants for 1,3-Diphenyltriazenes","year":2010,"lang":"en","type":"article","venue":"Journal of Chemical & Engineering Data","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Hammett equation; Tautomer; Equilibrium constant; Dissociation constant; Titration; Free-energy relationship; Acid dissociation constant; Physical chemistry; Computational chemistry; Bond-dissociation energy; Dissociation (chemistry); Thermodynamics; Reaction rate constant; Organic chemistry; Kinetics","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":[0.001022404,0.001077557,0.0005276962,0.0009816792,0.00060702,0.0004909821,0.001152824,0.0007882403,0.003059644],"category_scores_gemma":[0.003097421,0.0007075793,0.0004348491,0.001331757,0.0005334983,0.000923518,0.0004479273,0.002429281,0.0008035126],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000689463,"about_ca_system_score_gemma":0.0004930423,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008272558,"about_ca_topic_score_gemma":0.00127579,"domain_scores_codex":[0.9989026,0.0002342089,0.00006770673,0.0002513284,0.0004383289,0.0001057949],"domain_scores_gemma":[0.9979176,0.0009099357,0.0003085891,0.0002608851,0.0005202208,0.00008282104],"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":[0.0001028136,0.0000577516,0.0003783859,0.0001058399,0.00002611354,0.00003793581,0.0001149469,0.0005810653,0.9943019,0.0006524681,0.0001122033,0.003528668],"study_design_scores_gemma":[0.00001155799,0.0001203075,0.001056307,0.000004890601,0.00001885661,0.00008416033,0.00004576207,0.003114183,0.9942696,0.0003423867,0.0009088301,0.00002302631],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8440772,0.004037726,0.1426001,0.0002905323,0.0001711077,0.0002408997,0.001605599,0.0009096015,0.006067165],"genre_scores_gemma":[0.8966185,0.003843014,0.08909515,0.0001705913,0.000040894,0.0007285696,0.002076233,0.0002083857,0.007218548],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003059644,"threshold_uncertainty_score":0.01023555,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02876758797140888,"score_gpt":0.2794134735331412,"score_spread":0.2506458855617323,"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."}}