{"id":"W2149715824","doi":"10.1139/v06-097","title":"A theoretical and experimental investigation of some unusual intermolecular hydrogen-bond IR bands — Appearances can be deceptive","year":2006,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Fermi resonance; Intermolecular force; Ether; Hydrogen bond; Ethylene oxide; Methanol; Oxide; Crystallography; Photochemistry; Infrared spectroscopy; Molecule; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002795671,0.0003245776,0.000103063,0.000414956,0.0003004697,0.0002173742,0.0006430721,0.0003698424,0.002963714],"category_scores_gemma":[0.0003713338,0.000189017,0.0002022993,0.0003539283,0.0004564549,0.0006999853,0.0001966915,0.0006408686,0.0004028299],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002240192,"about_ca_system_score_gemma":0.00008209825,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002599355,"about_ca_topic_score_gemma":0.0002662133,"domain_scores_codex":[0.9998785,0.00001294585,0.00000275006,0.00003214724,0.00005704866,0.00001651784],"domain_scores_gemma":[0.9998327,0.00007482668,0.00002251101,0.00003106708,0.00002940088,0.000009407901],"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":[0.0001585356,0.0001482819,0.002539218,0.0003797344,0.00001807016,0.0002205014,0.0001352353,0.004378477,0.9432632,0.01451083,0.0004327212,0.03381516],"study_design_scores_gemma":[0.00001939573,0.0004027447,0.01330859,0.00002781495,0.00002698839,0.0005348209,0.0002698838,0.06461439,0.9017125,0.00868333,0.01036031,0.00003931591],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8846068,0.002833462,0.07433242,0.0003078334,0.00004964551,0.00005088344,0.0004953652,0.0002009156,0.03712267],"genre_scores_gemma":[0.9811685,0.001011941,0.01544116,0.00003872682,0.00001483285,0.00003816636,0.0003124531,0.00002053779,0.001953657],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002963714,"threshold_uncertainty_score":0.009914637,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002844708234721267,"score_gpt":0.2019782306639492,"score_spread":0.1991335224292279,"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."}}