{"id":"W2003016049","doi":"10.1016/j.jasms.2009.01.014","title":"Kinetics for tautomerizations and dissociations of triglycine radical cations","year":2009,"lang":"en","type":"article","venue":"Journal of the American Society for Mass Spectrometry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Pacific Northwest National Laboratory; Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Battelle; York University; U.S. Department of Energy","keywords":"Chemistry; Protonation; Tautomer; Radical ion; Hydrogen atom; Fragmentation (computing); Proton; Ion; Density functional theory; Kinetics; Computational chemistry; Stereochemistry; Group (periodic table); Organic chemistry","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":[0.00061587,0.0004005952,0.0005104506,0.0004856343,0.0003374022,0.0004828014,0.0007177116,0.0004592376,0.004298853],"category_scores_gemma":[0.002145487,0.0003755872,0.0003926621,0.0002749405,0.0004196737,0.001075052,0.0003226081,0.0009552048,0.0009272361],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008852354,"about_ca_system_score_gemma":0.0003217164,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001265437,"about_ca_topic_score_gemma":0.0008590876,"domain_scores_codex":[0.9997827,0.00001294468,0.000009007246,0.00007329327,0.0000569187,0.0000650484],"domain_scores_gemma":[0.9992686,0.0003460373,0.0001627628,0.00004311519,0.00009246112,0.00008714295],"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":[0.004543688,0.0005400357,0.01732608,0.0008432552,0.0002348422,0.0009543581,0.001686414,0.03630251,0.8627062,0.01625875,0.004430257,0.0541736],"study_design_scores_gemma":[0.0002283386,0.001181919,0.02930246,0.00006333851,0.0001148934,0.0007266373,0.0003470381,0.2064721,0.7514803,0.005733887,0.004128103,0.0002209334],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9862709,0.001607616,0.00725205,0.0002311312,0.00004280887,0.00006844812,0.0007189022,0.00041549,0.003392708],"genre_scores_gemma":[0.9969525,0.0005085058,0.0009447709,0.00002750397,0.00000522397,0.00004116219,0.0003283033,0.00002355519,0.001168404],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004298853,"threshold_uncertainty_score":0.01438111,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007498200002846629,"score_gpt":0.2772856920839261,"score_spread":0.2697874920810795,"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."}}