{"id":"W2917690078","doi":"10.1039/c9cp00537d","title":"The vibrational CD spectra of propylene oxide in liquid xenon: a proof-of-principle CryoVCD study that challenges theory","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Boehringer Ingelheim Stiftung; Memorial University of Newfoundland; Deutsche Forschungsgemeinschaft","keywords":"Xenon; Anharmonicity; Spectral line; Matrix isolation; Fermi resonance; Matrix (chemical analysis); Chemistry; Fermi Gamma-ray Space Telescope; Infrared spectroscopy; Molecular physics; Analytical Chemistry (journal); Physics; Quantum mechanics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001906712,0.0003614242,0.0006609348,0.000009281,0.00006709247,0.00001747301,0.0005215931,0.0000627874,0.00006369795],"category_scores_gemma":[0.0000302447,0.0002676389,0.0002808203,0.0002303601,0.0003275768,0.0001258554,0.0002938213,0.0004913647,0.000008148299],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005572569,"about_ca_system_score_gemma":0.00007703968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001544175,"about_ca_topic_score_gemma":4.728377e-7,"domain_scores_codex":[0.9980077,0.00005147852,0.0004538498,0.0005236334,0.0005125477,0.0004507739],"domain_scores_gemma":[0.9983671,0.000588519,0.0002964073,0.0005601878,0.00009810944,0.00008962536],"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":[0.0004628966,0.003094857,0.002011643,0.0001742333,0.0002033573,7.138152e-7,0.0005992122,0.00004492677,0.9576144,0.03509506,0.00001142918,0.0006873157],"study_design_scores_gemma":[0.000747761,0.0001294778,0.0003503109,0.00005712199,0.00004156952,2.330113e-7,0.0008007583,0.0002450963,0.9254695,0.0718428,0.00004888118,0.0002665393],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9905789,0.0001703559,0.0001451857,0.0001611951,0.00002778611,0.0004895304,0.00003254839,0.00002367103,0.008370779],"genre_scores_gemma":[0.9991805,0.000007803043,0.00009373087,0.000006640135,0.0004823652,0.0001160145,0.00002523904,0.00003313569,0.00005455401],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03674774,"threshold_uncertainty_score":0.9999776,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01694296829198953,"score_gpt":0.2689032880161167,"score_spread":0.2519603197241271,"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."}}