{"id":"W2319013272","doi":"10.1021/jp306220q","title":"Hydrogen Bonds and Conformations in Ethylene Glycol under Pressure","year":2012,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":65,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Raman spectroscopy; Hydrogen bond; Ethylene glycol; Chemistry; Infrared spectroscopy; Infrared; Hydrogen; Absorption (acoustics); Phase transition; Ethylene; Crystallography; Molecule; Materials science; Organic chemistry; Thermodynamics","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":[],"consensus_categories":[],"category_scores_codex":[0.000112982,0.00008455665,0.0001225964,0.00001429021,0.00005173302,0.00001288113,0.0001288551,0.00005090335,0.0001509257],"category_scores_gemma":[0.00002382855,0.00005958676,0.00008052895,0.00006937724,0.00007215397,0.0001632762,0.00003637289,0.0003826499,0.000001315873],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001737734,"about_ca_system_score_gemma":0.00002204248,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005992928,"about_ca_topic_score_gemma":7.539883e-7,"domain_scores_codex":[0.9994752,0.00001332354,0.0001848477,0.00003755133,0.0001420516,0.0001470523],"domain_scores_gemma":[0.9994878,0.0001104082,0.0001417405,0.0001269757,0.00004177102,0.00009132365],"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":[0.00003776919,0.0001644804,0.0001727477,0.00004994612,0.00008074444,0.000001211055,0.0008431983,0.000561326,0.997736,0.00008584255,0.0001489213,0.0001177571],"study_design_scores_gemma":[0.0005904652,0.00001866837,0.0005073635,0.00007149843,0.0002008541,0.0002897213,0.00135173,0.0006177187,0.9848974,0.0006684647,0.01065082,0.0001353507],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908106,0.0004998005,0.00004527848,0.000215331,0.000009536265,0.00001799628,0.000009974594,0.000005869794,0.008385578],"genre_scores_gemma":[0.9994256,0.00002313318,0.000008321377,0.00004479403,0.0002569086,0.000002088953,0.000003064719,0.000006798073,0.0002293276],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01283871,"threshold_uncertainty_score":0.2429878,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008595942263342884,"score_gpt":0.2525038871826083,"score_spread":0.2439079449192654,"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."}}