{"id":"W168262934","doi":"","title":"Infrared Spectra of Water Bending Bands of Propylene Oxide-Water Complexes: Sequential Solvation of a Chiral Molecule in Water","year":2011,"lang":"en","type":"article","venue":"66th International Symposium On Molecular Spectroscopy","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Solvation; Propylene oxide; Infrared; Molecule; Infrared spectroscopy; Chemistry; Spectral line; Oxide; Photochemistry; Materials science; Organic chemistry; Polymer; Optics; Ethylene oxide; Physics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001699988,0.0002813288,0.0004625442,0.0001991771,0.00004188847,0.00001590756,0.0003561941,0.00006902823,0.001202379],"category_scores_gemma":[0.000003882246,0.000190522,0.0002325299,0.0000923387,0.0001561762,0.0001347879,0.0001565097,0.0002022845,0.00001196649],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008459942,"about_ca_system_score_gemma":0.00001665661,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003724335,"about_ca_topic_score_gemma":0.000003846633,"domain_scores_codex":[0.9979252,0.00005031131,0.0007691667,0.0003686292,0.0004466327,0.000440124],"domain_scores_gemma":[0.9993802,0.0000128725,0.000179308,0.0002471851,0.0001271957,0.00005325317],"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":[0.0004500359,0.0005116682,0.008063164,0.0000377319,0.0002788018,0.000006636996,0.001307698,0.0001217426,0.9602246,0.02897721,0.00001353031,0.000007222491],"study_design_scores_gemma":[0.001099967,0.0003518341,0.0005368095,0.00009024384,0.00004362601,0.000001211357,0.0000753627,0.0001815211,0.9817671,0.01559868,0.00003580057,0.0002178068],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.970794,0.00001200844,0.004720149,0.0001546264,0.0001807848,0.0002662068,0.00004877613,0.00001554183,0.02380792],"genre_scores_gemma":[0.997645,0.000004805278,0.001831899,0.00003371062,0.00008091226,0.0000348528,0.0002274897,0.00003176794,0.0001096013],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02685097,"threshold_uncertainty_score":0.9997107,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01433550795864429,"score_gpt":0.2552287104540407,"score_spread":0.2408932024953964,"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."}}