{"id":"W2903122831","doi":"10.1016/j.chemphys.2018.11.017","title":"IR spectral density of the<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si35.gif\" overflow=\"scroll\"><mml:mrow><mml:msub><mml:mrow><mml:mi>υ</mml:mi></mml:mrow><mml:mrow><mml:mi>S</mml:mi></mml:mrow></mml:msub><mml:mo stretchy=\"true\">(</mml:mo><mml:mtext>Cl</mml:mtext><mml:mo>–</mml:mo><mml:mover accent=\"true\"><mml:mrow><mml:mtext>H</mml:mtext></mml:mrow><mml:mrow><mml:mo stretchy=\"true\">→</mml:mo></mml:mrow></mml:mover><mml:mo stretchy=\"true\">)</mml:mo></mml:mrow></mml:math>band in gaseous<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" altimg=\"si3.gif\" overflow=\"scroll\"><mml:mrow><mml:msub><mml:mrow><mml:mo stretchy=\"true\">(</mml:mo><mml:msub><mml:mrow><mml:mtext>CH</mml:mtext></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:mo stretchy=\"true\">)</mml:mo></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mtext>O</mml:mtext><mml:mo>…</mml:mo><mml:mtext>HCl</mml:mtext></mml:mrow></mml:math>complex: Phase decoherence due to the anharmonic coupling theory and the bending mode effects","year":2018,"lang":"lv","type":"article","venue":"Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"University of Hail","keywords":"Chemistry; Dipole; Hamiltonian (control theory); Fermi resonance; Infrared spectroscopy; Mathematics","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":["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":[0.01100203,0.007029817,0.002693078,0.003643212,0.009895359,0.01061084,0.01660254,0.01595718,0.8177274],"category_scores_gemma":[0.01138774,0.01377415,0.01297752,0.00882833,0.01452472,0.008714153,0.01437548,0.01396269,0.007990169],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002438156,"about_ca_system_score_gemma":0.01058312,"about_ca_topic_candidate":true,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01160309,"about_ca_topic_score_gemma":0.01087949,"domain_scores_codex":[0.9422775,0.00394498,0.01131158,0.01191843,0.01493019,0.01561732],"domain_scores_gemma":[0.952466,0.01110932,0.01361037,0.01289995,0.00164618,0.008268191],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.01384716,0.002293927,0.00008678484,0.006280345,0.01119532,0.007195831,0.006846223,0.007027926,0.02454512,0.3707772,0.5428661,0.007038094],"study_design_scores_gemma":[0.01245462,0.007138296,0.0002675118,0.007031728,0.01091795,0.008845389,0.008478481,0.04657695,0.8781608,0.001613217,0.007223581,0.01129145],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.4828902,0.005920805,0.002033066,0.001765679,0.008776181,0.0003257774,0.003202419,0.001324499,0.4937613],"genre_scores_gemma":[0.9430934,0.007246794,0.005006511,0.007010794,0.01217323,0.008517637,0.008918559,0.006897785,0.001135294],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8536157,"threshold_uncertainty_score":0.9969398,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01422680298153834,"score_gpt":0.2474237335844489,"score_spread":0.2331969306029106,"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."}}