{"id":"W2091065734","doi":"10.1016/s0022-2860(99)00253-7","title":"Deperturbation of the low-frequency infrared modes of ketene (CH 2 CO) 1A preliminary version of this work was presented at the XXIVth European Congress on Molecular Spectroscopy, Prague, August 23–28, 1998, as poster F7. 1","year":2000,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":false,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"Hungarian Scientific Research Fund; Eidgenössische Technische Hochschule Zürich; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung","keywords":"Chemistry; Ketene; Rigid rotor; Infrared; Fourier transform; Fourier transform infrared spectroscopy; Infrared spectroscopy; Rotational–vibrational spectroscopy; Perturbation (astronomy); Spectroscopy; Perturbation theory (quantum mechanics); Fourier transform spectroscopy; Analytical Chemistry (journal); Atomic physics; Computational chemistry; Molecule; Rotor (electric); Quantum mechanics; Physics; Organic chemistry","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":[0.0001757773,0.0003081973,0.0001721766,0.0003342837,0.0003896494,0.0002052328,0.000440885,0.0002981059,0.009207973],"category_scores_gemma":[0.0006718174,0.0001758006,0.000171557,0.0002920381,0.0005149203,0.0004173949,0.0003093643,0.001014968,0.0009118532],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003106887,"about_ca_system_score_gemma":0.0001511661,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001042884,"about_ca_topic_score_gemma":0.002001235,"domain_scores_codex":[0.9998511,0.00001395106,0.000003118397,0.00004735445,0.00003801113,0.00004649845],"domain_scores_gemma":[0.9994103,0.0002761671,0.0001232948,0.0000959419,0.00005034531,0.00004392716],"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":[0.000200266,0.00003422222,0.0002037867,0.00008019808,0.000006261414,0.00008194723,0.0001800471,0.000122005,0.994823,0.0003031327,0.0002074585,0.003757646],"study_design_scores_gemma":[0.00001268562,0.0001245318,0.004101195,0.000009944491,0.000006336723,0.000151062,0.00004232925,0.0006190813,0.9922538,0.00007872635,0.00259185,0.000008453006],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9825691,0.002538196,0.006210894,0.0001951557,0.0001235854,0.00002703825,0.0002383071,0.0001006282,0.007997056],"genre_scores_gemma":[0.9864255,0.0005943919,0.001539111,0.0001347868,0.00001680375,0.00002298054,0.0002074162,0.00007335581,0.01098557],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009207973,"threshold_uncertainty_score":0.03080368,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003905362395298169,"score_gpt":0.2277342432921471,"score_spread":0.2238288808968489,"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."}}