{"id":"W2104338466","doi":"10.1039/c1cp20175a","title":"Effects of external electric fields on double proton transfer kinetics in the formic acid dimer","year":2011,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":148,"is_retracted":false,"has_abstract":true,"ca_institutions":"Mount Saint Vincent University; Dalhousie University","funders":"","keywords":"Chemistry; Reaction rate constant; Transition state theory; Electric field; Dimer; Proton; Density functional theory; Atomic physics; Water dimer; Quantum tunnelling; Scanning tunneling microscope; Molecular physics; Molecule; Computational chemistry; Physics; Kinetics; Condensed matter physics; Quantum mechanics","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":[],"consensus_categories":[],"category_scores_codex":[0.00003887408,0.0003161615,0.0004141392,0.000008844877,0.00004027701,0.00001251787,0.000434474,0.00007834742,0.00004826619],"category_scores_gemma":[0.000006594977,0.0002268107,0.0002742498,0.0002930163,0.00012958,0.00006820525,0.00005317,0.000612613,0.00000896167],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003039861,"about_ca_system_score_gemma":0.00001563144,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003893568,"about_ca_topic_score_gemma":5.136789e-8,"domain_scores_codex":[0.9986167,0.00001690624,0.0002706579,0.0003462911,0.0003143027,0.0004351583],"domain_scores_gemma":[0.9993577,0.0001750968,0.00006816266,0.000291669,0.0000339031,0.00007346363],"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":[0.000220362,0.002334023,0.0003782934,0.0001911783,0.00003889609,0.000001640065,0.0006866654,0.00000238567,0.9923427,0.00325505,0.00003661323,0.0005121613],"study_design_scores_gemma":[0.001053715,0.00009830068,0.0002173318,0.00006165196,0.00006390702,3.788236e-7,0.00002978344,0.0001183587,0.9707596,0.02733004,0.00001758184,0.0002494034],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866641,0.00003212241,0.001145577,0.0000231431,0.00001879635,0.0003938906,0.000007163739,0.00002175603,0.01169349],"genre_scores_gemma":[0.9990109,0.000003016289,0.00003794508,0.00005717556,0.0005902132,0.0002496148,0.00001258011,0.00002348267,0.00001513921],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02407499,"threshold_uncertainty_score":0.9249074,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01359846479448111,"score_gpt":0.2429794522553784,"score_spread":0.2293809874608973,"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."}}