{"id":"W2330419672","doi":"10.15278/isms.2015.wg10","title":"FINGERPRINTS OF INTRAMOLECULAR HYDROGEN BONDS: SYNCHROTRON-BASED FAR IR STUDY OF THE CIS AND TRANS CONFORMERS OF 2-FLUOROPHENOL","year":2015,"lang":"en","type":"article","venue":"","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Conformational isomerism; Intramolecular force; Hydrogen bond; Infrared spectroscopy; Chemistry; Crystallography; Hydrogen atom; Stereochemistry; Molecule; Group (periodic table); Organic chemistry","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":[0.0000991873,0.000156696,0.0003220785,0.00003254267,0.00002463704,0.000005168502,0.0002805235,0.0001012238,0.0002325838],"category_scores_gemma":[0.00004043386,0.0001113623,0.00008584384,0.0001146321,0.0001688526,0.0000230852,0.00004274285,0.0001372746,2.586766e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002077139,"about_ca_system_score_gemma":0.0001114626,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002464795,"about_ca_topic_score_gemma":0.00003932412,"domain_scores_codex":[0.9989012,0.00003293914,0.0003636034,0.000189867,0.000354487,0.000157868],"domain_scores_gemma":[0.9991539,0.00002295987,0.0001819122,0.0004783282,0.00008680735,0.00007605219],"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":[0.0001534318,0.0002306167,0.004792864,0.0002091193,0.000193286,0.000004975833,0.002579719,0.0006652336,0.9901192,0.0002610932,0.00001708813,0.0007733448],"study_design_scores_gemma":[0.001608282,0.0002710797,0.0004164611,0.00003276606,0.0001038806,0.000003056,0.002056303,0.0008641428,0.9942867,0.0001816166,0.00006295942,0.0001127826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9928214,0.0001569954,0.0009022811,0.00004085994,0.00001515232,0.0002087322,0.00002193519,0.00001195461,0.005820666],"genre_scores_gemma":[0.9995973,0.000003330722,0.0002937744,0.00003331971,0.000006627183,0.000007116896,0.000002772802,0.00001467223,0.00004115401],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006775809,"threshold_uncertainty_score":0.4541222,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008578962752433372,"score_gpt":0.2271126215708284,"score_spread":0.218533658818395,"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."}}