{"id":"W2067942660","doi":"10.1016/j.jms.2008.09.004","title":"Assignment, fit, and theoretical discussion of the ν10 band of acetaldehyde near 509 cm−1","year":2008,"lang":"en","type":"article","venue":"Journal of Molecular Spectroscopy","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":false,"ca_institutions":"Steacie Institute for Molecular Sciences; University of Calgary","funders":"","keywords":"Amplitude; Torsion (gastropod); Physics; Vibration; Acetaldehyde; Torsion spring; Torsional vibration; Anharmonicity; Atomic physics; Rotation (mathematics); Quantum mechanics; Classical mechanics; Chemistry; Geometry","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":[0.0003589183,0.0008651076,0.0003496995,0.000813779,0.001187631,0.0003848332,0.001773134,0.001058551,0.01019541],"category_scores_gemma":[0.000755263,0.0003022072,0.000635846,0.0007962662,0.000262784,0.0004181491,0.0003574431,0.000756607,0.0007562548],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005744244,"about_ca_system_score_gemma":0.0005894026,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003864278,"about_ca_topic_score_gemma":0.005190215,"domain_scores_codex":[0.9998596,0.00002496359,0.000004949476,0.00003299042,0.00003675142,0.00004076672],"domain_scores_gemma":[0.9998062,0.00008286368,0.00002050034,0.00002631611,0.00004489277,0.00001916505],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001858903,0.0008939432,0.01868286,0.0009151503,0.0001913235,0.00150847,0.0008793029,0.5610694,0.2472019,0.06067751,0.01709121,0.08903002],"study_design_scores_gemma":[0.0001211899,0.0002671817,0.005898423,0.00002994548,0.00004948842,0.0001957813,0.0004117747,0.9425097,0.03283158,0.01226846,0.005329925,0.00008662028],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7942753,0.0004664008,0.1763462,0.00170027,0.0002336375,0.0001967226,0.003839084,0.00153937,0.02140306],"genre_scores_gemma":[0.9663421,0.0002046273,0.02855892,0.0002136659,0.00001782277,0.0001388518,0.001780368,0.0002269601,0.002516538],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01019541,"threshold_uncertainty_score":0.03410703,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006822094428009335,"score_gpt":0.2503028995013265,"score_spread":0.2434808050733172,"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."}}