{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001388796,0.0001386936,0.0003362741,0.00007297567,0.00007098186,0.00002666628,0.0006989127,0.00004468451,0.0001170478],"category_scores_gemma":[0.0005279776,0.00007839055,0.000278019,0.0003644772,0.0001761796,0.00008507266,0.00006185452,0.0003283163,7.250874e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004583193,"about_ca_system_score_gemma":0.0001168154,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003139357,"about_ca_topic_score_gemma":0.00000316675,"domain_scores_codex":[0.9976819,0.0004510824,0.0009952767,0.0001248552,0.0006005625,0.00014639],"domain_scores_gemma":[0.9964074,0.0004824426,0.002447422,0.0003983022,0.0002217221,0.00004270432],"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":[0.0001411761,0.0001151535,0.004172935,0.0001493769,0.0001212545,0.000005491571,0.0003651371,0.00001872638,0.9686501,0.0003274028,0.00004091514,0.02589231],"study_design_scores_gemma":[0.001065508,0.0001891168,0.03617877,0.0003509868,0.0001328539,0.00002506518,0.0003898419,0.0002347481,0.9576075,0.002710848,0.001024713,0.0000900182],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9686586,0.00129018,0.02326292,0.0005864419,0.0000538613,0.0005224842,0.00003582724,0.000005788394,0.005583914],"genre_scores_gemma":[0.9950327,0.0002697182,0.004369336,0.00001616838,0.0001577099,0.00000646333,0.000003128084,0.00002657421,0.0001181982],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03200583,"threshold_uncertainty_score":0.3196674,"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."}}