{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004988582,0.001404994,0.0008993487,0.002432421,0.001251466,0.001428593,0.001700394,0.001288539,0.3633749],"category_scores_gemma":[0.001236046,0.0005961984,0.0005998682,0.003319103,0.0004968996,0.003766126,0.0009091798,0.003191165,0.1072898],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009983392,"about_ca_system_score_gemma":0.0005743155,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002889473,"about_ca_topic_score_gemma":0.002442083,"domain_scores_codex":[0.9995272,0.0000195183,0.00001056329,0.0001560353,0.0002124866,0.00007424752],"domain_scores_gemma":[0.9993908,0.0001354119,0.00004098707,0.00007160792,0.0002967596,0.00006441607],"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":[0.0005994925,0.0001625435,0.002955168,0.001504417,0.00008040351,0.0005450867,0.0004927699,0.001415749,0.1607838,0.008319963,0.724353,0.09878764],"study_design_scores_gemma":[0.0001339586,0.000301955,0.04739406,0.0005766925,0.0001905305,0.001102944,0.001415313,0.01112744,0.168911,0.006722912,0.7618276,0.0002956524],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.06658275,0.004825735,0.06770764,0.006312707,0.003766022,0.0001479043,0.1029715,0.02682625,0.7208596],"genre_scores_gemma":[0.3161924,0.01005547,0.05390071,0.004052798,0.001097893,0.0008086217,0.1908253,0.02459703,0.3984697],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.3633749,"threshold_uncertainty_score":0.9080685,"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."}}