{"id":"W3203079642","doi":"10.15278/isms.2021.fm11","title":"MATRIX ISOLATION-VIBRATIONAL CIRCULAR DICHROISM SPECTROSCOPIC STUDY OF TETRAHYDRO-2-FUROIC ACID AND ITS AGGREGATES","year":2021,"lang":"en","type":"article","venue":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Vibrational circular dichroism; Matrix isolation; Molecule; Infrared spectroscopy; Argon; Dimer; Monomer; Chemistry; Circular dichroism; Conformational isomerism; Polarizable continuum model; Spectral line; Spectroscopy; Matrix (chemical analysis); Infrared; Computational chemistry; Crystallography; Polymer; Organic chemistry; Physics; Solvation","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"],"consensus_categories":[],"category_scores_codex":[0.0001792415,0.0003806605,0.0004579954,0.0001069272,0.0001484161,0.0001392173,0.0007482708,0.0001505373,0.0008878822],"category_scores_gemma":[0.0001950249,0.0003493192,0.0002668097,0.0003989431,0.0001099218,0.0002141352,0.0003515831,0.0004451063,0.000008400007],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001645147,"about_ca_system_score_gemma":0.0001052418,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002022227,"about_ca_topic_score_gemma":0.000004653188,"domain_scores_codex":[0.9969844,0.00003026492,0.0007222745,0.0007466408,0.001181032,0.0003354012],"domain_scores_gemma":[0.9984112,0.00004290735,0.0006120962,0.0003474034,0.0004771838,0.000109178],"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":[0.0001070111,0.0008150963,0.01211753,0.0001622238,0.0003790016,0.00001861659,0.0003396518,0.00006343912,0.9626063,0.02334734,0.00003241653,0.00001142129],"study_design_scores_gemma":[0.001181397,0.0002304092,0.001247988,0.0002105544,0.0001441472,0.00004166284,0.0003206528,0.000682154,0.9930061,0.002540291,0.0001167209,0.0002778927],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9794165,0.0009759084,0.0001843223,0.001677458,0.0002874075,0.0002762713,0.00003775394,0.00003319207,0.01711113],"genre_scores_gemma":[0.9976577,0.000186759,0.001290802,0.0001081774,0.0001747395,0.00003988304,0.00002631948,0.00005002479,0.0004655676],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03039988,"threshold_uncertainty_score":0.9998959,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005623433553386744,"score_gpt":0.2524434200586324,"score_spread":0.2468199865052457,"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."}}