{"id":"W2897608673","doi":"10.1002/jcc.25598","title":"Quantum dynamics of vibration–vibration energy transfer for vibrationally excited HF colliding with H<sub>2</sub>","year":2018,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"National Natural Science Foundation of China","keywords":"Excited state; Atomic physics; Reaction rate constant; Chemistry; Potential energy surface; Potential energy; Hydrogen; Vibration; Basis set; Physics; Molecule; Computational chemistry; Density functional theory; Quantum mechanics; Kinetics","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":[0.0001782768,0.0001911302,0.0002807289,0.00007471493,0.0001859175,0.00005428555,0.0002215483,0.000145298,0.000174501],"category_scores_gemma":[0.00004923198,0.0001837091,0.000148927,0.0002712945,0.0001542269,0.0003033409,0.00001232614,0.0001551584,0.00000103187],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001327364,"about_ca_system_score_gemma":0.0005510153,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001721742,"about_ca_topic_score_gemma":0.00001002565,"domain_scores_codex":[0.9983534,0.00001579931,0.0007520039,0.0002030444,0.000503848,0.0001719255],"domain_scores_gemma":[0.997642,0.0003275898,0.000483817,0.0001427466,0.001296286,0.0001075044],"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":[0.0004735413,0.0002138677,0.0001073365,0.0001590672,0.0002000066,0.000001976096,0.0001077137,0.04935606,0.9377255,0.01095317,0.0003582211,0.000343512],"study_design_scores_gemma":[0.001129176,0.0001290536,0.000183198,0.0001043662,0.00009220598,0.00008723733,0.0001244149,0.13535,0.8474142,0.01495517,0.0002527941,0.0001782547],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4409864,0.00002957149,0.5579488,0.0003330313,0.00002926883,0.00004398596,0.00009143254,0.00001709318,0.0005204121],"genre_scores_gemma":[0.9936658,0.00001137926,0.004979909,0.00009678014,0.0006172711,0.00002552768,0.0005229312,0.00003287115,0.00004756948],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.5529689,"threshold_uncertainty_score":0.7491438,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007638144605020643,"score_gpt":0.2318485988229665,"score_spread":0.2242104542179459,"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."}}