{"id":"W1576063160","doi":"10.1002/9783527611546.ch29","title":"Multiple Proton Transfer: From Stepwise to Concerted","year":2006,"lang":"en","type":"other","venue":"","topic":"Chemical Reactions and Mechanisms","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Proton; Intramolecular force; Formic acid; Quantum tunnelling; Transfer (computing); Chemical physics; Chemistry; Computational chemistry; Physics; Stereochemistry; Nuclear physics; Computer science; Quantum mechanics; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00001013722,0.0002538857,0.0002797651,0.00004264751,0.00001640336,0.0000209755,0.000164672,0.0004493598,0.03753639],"category_scores_gemma":[0.00001435293,0.0002227146,0.000111689,0.00005875178,0.00001507337,0.00001036577,0.0000218734,0.0001859551,0.0003303774],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006148893,"about_ca_system_score_gemma":0.00003195097,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00972647,"about_ca_topic_score_gemma":0.001934918,"domain_scores_codex":[0.9990477,0.000002943815,0.0001698797,0.0003982777,0.0001694006,0.0002118299],"domain_scores_gemma":[0.9993908,0.00003796347,0.00002576876,0.0003841915,0.00001620362,0.0001450871],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00002093664,0.00009451786,0.00001271491,0.00007772366,0.00004896836,0.000005737781,0.00001267254,2.786668e-7,0.5936306,0.00005384104,0.4001731,0.005868926],"study_design_scores_gemma":[0.000377788,0.000004069609,2.700143e-7,0.00009620122,0.00002041745,3.63062e-7,0.00001337779,0.00002064705,0.4197746,0.00002598557,0.579488,0.0001782502],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.0009247967,0.00007228246,0.004091545,0.00003450791,0.00009488175,0.0004599922,0.0007216526,0.0005576349,0.9930427],"genre_scores_gemma":[0.005588168,0.00001804361,0.001323352,0.0001060076,0.0004717811,0.000348627,0.0007372086,0.000375158,0.9910316],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.1793149,"threshold_uncertainty_score":0.9968678,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01121330810921552,"score_gpt":0.2268521838936983,"score_spread":0.2156388757844827,"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."}}