{"id":"W2317891347","doi":"10.1103/physreva.65.042511","title":"Variations in the torsion-vibration energy structure of<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=\"normal\">CH</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant=\"normal\">OH</mml:mi></mml:math>from fundamental, overtone, and combination bands of the<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi>ν</mml:mi></mml:mrow><mml:mrow><mml:mn>7</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math><mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi>ν</mml:mi></mml:mrow><mml:mrow><mml:mn>8</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math>and<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi>ν</mml:mi></mml:mrow><mml:mrow><mml:mn>11</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=\"normal\">CH</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>rocking and<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mi mathvariant=\"normal\">CO</mml:mi></mml:math>stretching modes","year":2002,"lang":"lv","type":"article","venue":"Physical Review A","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Physics; Overtone; Excited state; Degenerate energy levels; Torsion (gastropod); Excitation; Atomic physics; Energy (signal processing); Crystallography; Nuclear magnetic resonance; Spectral line; Quantum mechanics; Chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":["metaresearch","metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","open_science","research_integrity","insufficient_payload"],"category_scores_codex":[0.01047771,0.006329229,0.002383312,0.00366732,0.009703919,0.0102899,0.01375457,0.01461261,0.767184],"category_scores_gemma":[0.01059282,0.01244608,0.0119681,0.007874414,0.01071061,0.01030632,0.0133912,0.01161235,0.007272159],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001490138,"about_ca_system_score_gemma":0.009810786,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01019167,"about_ca_topic_score_gemma":0.01065462,"domain_scores_codex":[0.9469557,0.003561911,0.0115671,0.01036141,0.0143095,0.01324441],"domain_scores_gemma":[0.9548296,0.009394312,0.01488439,0.01259129,0.001316857,0.006983545],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.006902784,0.002001672,0.00004651248,0.007644868,0.008329654,0.007357514,0.005467137,0.004800953,0.01065493,0.587109,0.3567264,0.002958598],"study_design_scores_gemma":[0.008086915,0.005904634,0.0003084535,0.008567409,0.01039338,0.01088736,0.006539904,0.1691057,0.7603064,0.0003287771,0.01078214,0.00878891],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.4564994,0.006593828,0.002427442,0.002140353,0.008545991,0.0002369172,0.00385832,0.001244887,0.5184529],"genre_scores_gemma":[0.9287983,0.01325257,0.007624969,0.006694989,0.01046624,0.00977293,0.0158345,0.006379654,0.001175839],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.7599118,"threshold_uncertainty_score":0.9979268,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01401610037268487,"score_gpt":0.2419323366322564,"score_spread":0.2279162362595715,"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."}}