{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001565854,0.000210983,0.0001997718,0.00005781158,0.0001172039,0.0002340514,0.0002066755,0.0002114339,0.0009189143],"category_scores_gemma":[0.0004251437,0.0000839978,0.00009078335,0.0001007103,0.000251822,0.0002916775,0.000241823,0.0003466077,0.0001002494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001724686,"about_ca_system_score_gemma":0.0001176143,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002740533,"about_ca_topic_score_gemma":0.000326052,"domain_scores_codex":[0.9999368,0.00001508088,0.000003216045,0.00001389133,0.00001684735,0.00001422861],"domain_scores_gemma":[0.9998444,0.00009382372,0.0000236544,0.000006232694,0.00001364796,0.00001813895],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007490675,0.00007563228,0.001117394,0.000337866,0.00003741393,0.0003093837,0.0001499273,0.005761153,0.9825348,0.0009651794,0.0002141886,0.007748059],"study_design_scores_gemma":[0.00008043888,0.0007840205,0.002731509,0.00002061716,0.00003569059,0.0002444034,0.0002132684,0.01605353,0.9767252,0.0005282458,0.002556896,0.00002618995],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971499,0.0007733671,0.001058516,0.00006169181,0.00001533017,0.000006162434,0.00005028939,0.00001881919,0.0008659823],"genre_scores_gemma":[0.9985803,0.0005044214,0.0005946874,0.00002382681,0.000003407984,0.000005621378,0.00004452268,0.000005471175,0.0002376021],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009189143,"threshold_uncertainty_score":0.00307411,"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."}}