{"id":"W4210334460","doi":"10.1063/5.0079565","title":"Ro-translational dynamics of confined water. I. The confined asymmetric rotor model","year":2022,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo; Université de Sherbrooke","funders":"Institut national des sciences de l'Univers; Natural Sciences and Engineering Research Council of Canada; Ministère des relations internationales et de la Francophonie; Agence Nationale de la Recherche; Canada Foundation for Innovation; Fonds de recherche du Québec – Nature et technologies","keywords":"Isotropy; Physics; Molecular physics; Rigid rotor; Chemical physics; Translation (biology); Rotation (mathematics); Chemistry; Rotor (electric); Coupling (piping); Potential energy; Mixing (physics); Atomic physics; Materials science; Quantum mechanics; Geometry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001550176,0.0002897467,0.000280235,0.0001923061,0.0002481913,0.0003386584,0.0006429477,0.0005125907,0.001196907],"category_scores_gemma":[0.0002451677,0.0001290261,0.0002742358,0.0001326856,0.00116153,0.0009585799,0.0005992037,0.0003225081,0.0002339528],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002958262,"about_ca_system_score_gemma":0.0001843805,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009301818,"about_ca_topic_score_gemma":0.0007102665,"domain_scores_codex":[0.9999315,0.00001389094,0.000003149169,0.00001820416,0.00001895965,0.00001442033],"domain_scores_gemma":[0.999927,0.00001690289,0.00001663831,0.00001797396,0.000007141422,0.00001422372],"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":[0.0002756822,0.0001356371,0.0009067704,0.0002698964,0.00002742255,0.0004746312,0.0003091696,0.1518907,0.4944517,0.3388225,0.0006171083,0.01181884],"study_design_scores_gemma":[0.00004862158,0.0003304634,0.0008432762,0.00001802935,0.00001017414,0.0001770588,0.00008524235,0.9354992,0.02585413,0.03512642,0.001958983,0.00004844408],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8470696,0.00155054,0.1349711,0.0005462695,0.0001071591,0.00007886825,0.0002249526,0.0001458647,0.01530569],"genre_scores_gemma":[0.9900014,0.0004221309,0.007933363,0.00006955797,0.00002136583,0.00005546354,0.00006406692,0.00001594625,0.00141665],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001196907,"threshold_uncertainty_score":0.004004121,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01480338562457338,"score_gpt":0.2624677171099264,"score_spread":0.2476643314853531,"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."}}