{"id":"W1979369648","doi":"10.1021/jp904405n","title":"Conformational Study of a Bent-Core Liquid Crystal: <sup>13</sup>C NMR and DFT Computation Approach","year":2009,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Liquid Crystal Research Advancements","field":"Materials Science","cited_by":49,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Bent molecular geometry; Crystallography; Computation; Core (optical fiber); Crystal (programming language); Physics; Molecular physics; Nuclear magnetic resonance; Materials science; Chemistry; Mathematics; Computer science; Optics; Algorithm","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":[0.0005345584,0.0001190012,0.0002477909,0.00002253697,0.00008685283,0.00003672123,0.0003251263,0.00002390757,0.0000317922],"category_scores_gemma":[0.0001170941,0.00007791932,0.00005030652,0.0001107986,0.0001292187,0.0003428268,0.0000897124,0.0002051135,0.000002125303],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004727671,"about_ca_system_score_gemma":0.00006733973,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004128493,"about_ca_topic_score_gemma":9.436626e-8,"domain_scores_codex":[0.9983898,0.00006318047,0.0004003867,0.00009857662,0.00085704,0.0001909781],"domain_scores_gemma":[0.9989445,0.000141902,0.000372759,0.0001398417,0.0002818531,0.0001191156],"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":[0.0006729566,0.0009071833,0.00001315046,0.00006342941,0.00002212519,0.000002527869,0.002633299,0.02983115,0.9655332,0.00004589446,0.0000739395,0.0002011222],"study_design_scores_gemma":[0.006114149,0.007587791,0.001519305,0.0001831991,0.0001684683,0.0002135459,0.01228424,0.08883029,0.8762991,0.006296897,0.00009005446,0.0004128892],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977866,0.00003021285,0.001249286,0.00006637297,0.000005706114,0.0001644397,0.00001120384,0.00000721904,0.0006789177],"genre_scores_gemma":[0.9995856,0.000003714206,0.0001857891,0.00002483948,0.0001588094,0.000001832199,0.000004698434,0.000005941286,0.0000287658],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08923405,"threshold_uncertainty_score":0.3177458,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02433765152250765,"score_gpt":0.3044666467098893,"score_spread":0.2801289951873816,"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."}}