{"id":"W1520209841","doi":"10.1002/0470027320.s4101","title":"Spectra– Structure Correlations in the Mid‐ and Far‐Infrared","year":2001,"lang":"en","type":"other","venue":"Handbook of Vibrational Spectroscopy","topic":"Spectroscopy and Chemometric Analyses","field":"Chemistry","cited_by":152,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Infrared spectroscopy; Infrared; Spectral line; Molecule; Group (periodic table); Spectrum (functional analysis); Chemistry; Absorption spectroscopy; Computational chemistry; Physics; Optics; Organic chemistry; Quantum mechanics","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00006231329,0.0003700558,0.0004970615,0.0003923139,0.00008900143,0.00006604008,0.0003661726,0.0004028619,0.03451739],"category_scores_gemma":[0.00005472858,0.0002933071,0.0001136923,0.000526753,0.0002255022,0.0000705596,0.00003866165,0.0004960372,0.00001880443],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007789965,"about_ca_system_score_gemma":0.0001235683,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003019983,"about_ca_topic_score_gemma":0.0006212135,"domain_scores_codex":[0.9983807,0.0000285836,0.0004043919,0.0004233991,0.0004647752,0.0002981638],"domain_scores_gemma":[0.9989787,0.0001644231,0.0003480055,0.0004196694,0.0000290716,0.00006015839],"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":[0.00009067401,0.000362036,0.01692053,0.0003424501,0.0005109657,0.00003816501,0.0005747831,0.00003985741,0.6823704,0.01078914,0.2877953,0.0001657696],"study_design_scores_gemma":[0.001504573,0.0001083806,0.00152521,0.0004966606,0.0004646807,0.00008461185,0.0005766329,0.0001129284,0.9488842,0.01254931,0.03290437,0.0007884089],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.0007863563,0.02386599,0.02433229,0.0003211406,0.0001313708,0.0003383989,0.0006919676,0.0001313143,0.9494011],"genre_scores_gemma":[0.01619813,0.02991653,0.3086719,0.001851595,0.005129964,0.0002645223,0.004933803,0.001722483,0.6313111],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.3180901,"threshold_uncertainty_score":0.9999519,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009894871180665583,"score_gpt":0.2581207424980683,"score_spread":0.2482258713174027,"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."}}