{"id":"W4235139954","doi":"10.1002/ange.201813881","title":"The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi‐Messenger Study","year":2019,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada; Deutsche Forschungsgemeinschaft; Verband der Chemischen Industrie","keywords":"Trimer; Dimer; Monomer; Metastability; Hydrogen bond; Chemistry; Crystallography; Raman spectroscopy; Molecule; Stereochemistry; Organic chemistry; Polymer; Physics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006644744,0.0001175385,0.0001096436,0.0001005842,0.0002209609,0.0002035374,0.0002251234,0.0002118326,0.002072858],"category_scores_gemma":[0.00008388805,0.00005810136,0.0001153103,0.00004848346,0.0002137473,0.0002072247,0.0001366144,0.0003454894,0.0002625833],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001658726,"about_ca_system_score_gemma":0.00007501085,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002394059,"about_ca_topic_score_gemma":0.0001808283,"domain_scores_codex":[0.9999708,0.000003063484,5.841644e-7,0.000008008607,0.000007850353,0.000009610659],"domain_scores_gemma":[0.9999607,0.00001057461,0.000009412667,0.000004766111,0.000004255577,0.00001025812],"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":[0.00007028303,0.00004189258,0.0001754649,0.00003744944,0.000005796255,0.0003035562,0.0001015209,0.0004270126,0.9945215,0.002218034,0.0001075773,0.001989864],"study_design_scores_gemma":[0.00002907528,0.0005393232,0.002377672,0.000008918123,0.00002171946,0.0004042079,0.0001777249,0.01229007,0.9803358,0.0008951179,0.002899373,0.00002090608],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964365,0.0003427117,0.001036864,0.00005308163,0.0000178485,0.000003477244,0.0000124286,0.00001189597,0.002085279],"genre_scores_gemma":[0.9983665,0.00009714695,0.0003487033,0.00001239768,0.000006958552,0.000002435004,0.00001345823,0.000004054388,0.001148335],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002072858,"threshold_uncertainty_score":0.006934464,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008817448687812349,"score_gpt":0.2446543938085596,"score_spread":0.2358369451207472,"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."}}