{"id":"W2119465834","doi":"10.1002/jrs.2928","title":"Spectroscopic investigations and computational study of sulfur trioxide–pyridine complex","year":2011,"lang":"en","type":"article","venue":"Journal of Raman Spectroscopy","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"Hyperpolarizability; Pyridine; Chemistry; Sulfur trioxide; Raman scattering; Molecule; Raman spectroscopy; Ring (chemistry); Infrared; Physical chemistry; Analytical Chemistry (journal); Computational chemistry; Inorganic chemistry; Optics; Organic chemistry; Physics","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":[0.0002681291,0.0004636982,0.001007421,0.0005447306,0.000786557,0.0007506898,0.001146823,0.001022573,0.004727496],"category_scores_gemma":[0.0005221051,0.0002773352,0.0004748577,0.0006677547,0.000528968,0.000474417,0.0004265291,0.0004768128,0.0002332782],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007733462,"about_ca_system_score_gemma":0.0008989662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007178105,"about_ca_topic_score_gemma":0.00579553,"domain_scores_codex":[0.999884,0.0000236017,0.000004312272,0.00001786746,0.00003539495,0.00003486246],"domain_scores_gemma":[0.9997897,0.0001036857,0.00002123792,0.00002056205,0.00004179189,0.0000231117],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004469394,0.0003015748,0.003043306,0.0008541136,0.0001640231,0.001527698,0.000159874,0.9419758,0.01637962,0.02373964,0.002872285,0.008535066],"study_design_scores_gemma":[0.0001286386,0.0001295234,0.0007981918,0.00001247462,0.00003214575,0.00006683069,0.0001115213,0.9929657,0.002816565,0.001875618,0.001047197,0.00001558282],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9825507,0.0006107981,0.003649085,0.0003650834,0.00003604911,0.00003670451,0.0005706955,0.00009226775,0.0120885],"genre_scores_gemma":[0.9941983,0.0002871118,0.003837833,0.00005841625,0.0000158318,0.00004831648,0.0004899116,0.00002427815,0.001039923],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007178105,"threshold_uncertainty_score":0.01581502,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07340569260171244,"score_gpt":0.333541433529544,"score_spread":0.2601357409278316,"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."}}