{"id":"W2083989082","doi":"10.1039/c001253j","title":"Hydrogen exchange in formic acid dimer: tunnelling above the barrier","year":2010,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Quantum tunnelling; Chemistry; Degenerate energy levels; Dimer; Formic acid; Hamiltonian (control theory); Polarizability; Adiabatic process; Rectangular potential barrier; Density functional theory; Raman spectroscopy; Hydrogen; Molecular physics; Computational chemistry; Atomic physics; Chemical physics; Physics; Condensed matter physics; Quantum mechanics; Molecule","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":[0.00008379332,0.0001974014,0.000200251,0.0001109302,0.0003333678,0.0002162026,0.0003615625,0.0003271449,0.002036142],"category_scores_gemma":[0.0001842529,0.0001338317,0.0001116872,0.00008714253,0.0002633598,0.000332701,0.0003242955,0.0002673255,0.0001620977],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001369247,"about_ca_system_score_gemma":0.0001125681,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004040745,"about_ca_topic_score_gemma":0.0003382313,"domain_scores_codex":[0.9999499,0.000007648342,0.000001037081,0.00001108072,0.00001534583,0.00001493277],"domain_scores_gemma":[0.9999501,0.00001872396,0.000007912182,0.000005028013,0.000006487097,0.0000119455],"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":[0.0006135231,0.0001241928,0.002244888,0.0001518838,0.00003738288,0.000732962,0.0003654312,0.01709367,0.9628984,0.007729325,0.0002915993,0.007716745],"study_design_scores_gemma":[0.0001726931,0.000885258,0.007952967,0.00002467742,0.00003210967,0.000946285,0.0006664448,0.309381,0.6682021,0.009397949,0.002260731,0.00007778419],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973672,0.0001086192,0.001636801,0.00003698065,0.000005273968,0.000003251876,0.00001896738,0.00001668635,0.0008063048],"genre_scores_gemma":[0.9991167,0.00005054775,0.0004543085,0.000007637087,0.000001144566,0.000002941982,0.0000251988,0.000004967525,0.0003364768],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002036142,"threshold_uncertainty_score":0.006811619,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008169593346589505,"score_gpt":0.2400248862338566,"score_spread":0.2318552928872671,"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."}}