{"id":"W2128150310","doi":"10.1255/ejms.434","title":"The Determination of Proton Affinities of Secondary Alcohols from the Dissociation of Proton-Bound Molecular Trios. A New Application of the Kinetic Method","year":2001,"lang":"en","type":"article","venue":"European Journal of Mass Spectrometry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Proton affinity; Proton; Affinities; Kinetic energy; Dissociation (chemistry); Ion; Yield (engineering); Enthalpy; Computational chemistry; Stereochemistry; Crystallography; Physical chemistry; Protonation; Organic chemistry; Thermodynamics","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":[0.0003815583,0.0004373267,0.0001923966,0.0006875019,0.0001918201,0.0003207787,0.0004111291,0.0003231496,0.001383634],"category_scores_gemma":[0.001211815,0.0003689825,0.0002131571,0.000358552,0.0002895203,0.0008232892,0.0003503245,0.0008234595,0.0005537492],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002820574,"about_ca_system_score_gemma":0.0003262628,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005488908,"about_ca_topic_score_gemma":0.0008979,"domain_scores_codex":[0.9997256,0.00004230553,0.00001959798,0.00005646181,0.0001299905,0.00002599261],"domain_scores_gemma":[0.9994609,0.0001992928,0.0001190017,0.00003397155,0.0001436122,0.00004330747],"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":[0.00006093392,0.00001221964,0.0005972285,0.0001623995,0.00001668222,0.00002962418,0.0000331128,0.0002607486,0.9881662,0.0006170127,0.0001306685,0.009913253],"study_design_scores_gemma":[0.000005497185,0.00009044973,0.002576005,0.000006650052,0.00001385879,0.0001393062,0.00004509095,0.002749986,0.9919373,0.000277336,0.00214195,0.00001667699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5948626,0.006627955,0.3832089,0.0003017909,0.0002619855,0.0003163697,0.001438262,0.0005596982,0.01242259],"genre_scores_gemma":[0.9374172,0.004219338,0.05097691,0.0001345226,0.00004233163,0.0002129164,0.0008526957,0.00004989721,0.006094263],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001383634,"threshold_uncertainty_score":0.004628718,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01043597555149894,"score_gpt":0.2486261069873292,"score_spread":0.2381901314358302,"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."}}