{"id":"W2320107382","doi":"10.1515/pac-2014-1118","title":"Mechanistic insights from mass spectrometry: examination of the elementary steps of catalytic reactions in the gas phase","year":2015,"lang":"en","type":"article","venue":"Pure and Applied Chemistry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":56,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada; British Columbia Knowledge Development Fund; University of Victoria","keywords":"Chemistry; Mass spectrometry; Gas phase; Catalysis; Elementary reaction; Reactive intermediate; Catalytic cycle; Phase (matter); Genetic algorithm; Reaction intermediate; Nanotechnology; Physical chemistry; Chromatography; Organic chemistry; Kinetics","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":[0.0003630937,0.0005444434,0.0002687228,0.0005806329,0.0003877945,0.0006080626,0.0004918147,0.0007757365,0.001500776],"category_scores_gemma":[0.0003124728,0.0002239348,0.000336131,0.0003334803,0.0008271316,0.001305591,0.0003290896,0.001036731,0.0004064107],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004596684,"about_ca_system_score_gemma":0.0003248686,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006444191,"about_ca_topic_score_gemma":0.0007141839,"domain_scores_codex":[0.9998639,0.0000223544,0.000005174534,0.00002102094,0.00006651628,0.00002115528],"domain_scores_gemma":[0.9999089,0.0000414965,0.00001770782,0.000007883943,0.00001524416,0.000008626293],"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":[0.0001146602,0.00005559087,0.0008435693,0.0002732424,0.00001760833,0.0003180083,0.0001285002,0.0005794136,0.9811948,0.006287981,0.0002590248,0.009927569],"study_design_scores_gemma":[0.00001690203,0.0002398811,0.004901359,0.00004827206,0.00002584599,0.0006820732,0.0003151801,0.004964428,0.9680012,0.006918143,0.01385698,0.00002977943],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8470812,0.03335474,0.08928459,0.002240324,0.0002396638,0.0001781021,0.0004986165,0.0006229129,0.02649983],"genre_scores_gemma":[0.9524008,0.01313054,0.03048798,0.000361599,0.00007531565,0.00003214513,0.0001434965,0.00003576581,0.003332367],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001500776,"threshold_uncertainty_score":0.005020618,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0145585526700665,"score_gpt":0.2443834464665558,"score_spread":0.2298248937964893,"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."}}