{"id":"W7104047670","doi":"10.1063/1674-0068/cjcp2505061","title":"FTIR spectroscopic study of thioanisole and its two halogenated derivatives","year":2025,"lang":"en","type":"article","venue":"Chinese Journal of Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Light Source (Canada)","funders":"","keywords":"Fourier transform infrared spectroscopy; Rotational–vibrational spectroscopy; Halogen; Density functional theory; Infrared spectroscopy; Infrared; Molecular vibration; Two-dimensional infrared spectroscopy; Thioanisole","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005523708,0.0001951592,0.00046954,0.00003635537,0.00003675634,0.00001978388,0.0002508406,0.00006952064,0.00004774526],"category_scores_gemma":[0.0001206636,0.0001386032,0.0001065284,0.00023944,0.00005673451,0.00008723707,0.00008783698,0.0004342089,3.803492e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000322965,"about_ca_system_score_gemma":0.00005924426,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002279357,"about_ca_topic_score_gemma":4.783105e-7,"domain_scores_codex":[0.9990416,0.00002123208,0.000410309,0.0001520258,0.0002281175,0.000146719],"domain_scores_gemma":[0.999229,0.00007079366,0.0003003061,0.0001707539,0.0001615013,0.00006766179],"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":[0.0001090741,0.0003352434,0.004992099,0.0001281978,0.0002121982,0.0000165362,0.0004999294,0.00001183258,0.9926925,0.0008288422,0.0000367814,0.0001368065],"study_design_scores_gemma":[0.001739099,0.00007854002,0.0009767652,0.00009092651,0.00007791466,0.00001235623,0.0001130886,0.0001285516,0.9730018,0.02366924,0.00001050667,0.0001012486],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965393,0.0006459661,0.0001220403,0.00007062888,0.00006890357,0.00005190463,0.000003401921,0.000009781314,0.002488098],"genre_scores_gemma":[0.9994342,0.00002075144,0.000245868,0.0000417908,0.0001860086,0.000001098247,0.00000204155,0.00001184355,0.00005639168],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0228404,"threshold_uncertainty_score":0.5652072,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005512455159914857,"score_gpt":0.2828380436746819,"score_spread":0.2773255885147671,"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."}}