{"id":"W2173163681","doi":"10.1139/v10-178","title":"Investigation of the disorder of dibromo- and dichloromethane in their tri-<i>ortho</i>-thymotide clathrates using X-ray diffraction and solid-state <sup>2</sup>H NMR spectroscopy","year":2011,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Chemistry; Crystallography; Molecule; Libration (molecule); Nuclear magnetic resonance spectroscopy; Dichloromethane; X-ray crystallography; NMR spectra database; Crystal structure; Solid-state nuclear magnetic resonance; Spectroscopy; Diffraction; Stereochemistry; Spectral line; Nuclear magnetic resonance; Geometry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"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":[0.0001256673,0.0002434614,0.0002286965,0.0001938609,0.000141209,0.0003407042,0.0002124378,0.0001803025,0.0004969742],"category_scores_gemma":[0.0003737507,0.0002153265,0.000144476,0.0001808971,0.0002656527,0.0001881803,0.0001868306,0.0002800836,0.000123809],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003303158,"about_ca_system_score_gemma":0.0002969424,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001983469,"about_ca_topic_score_gemma":0.002292319,"domain_scores_codex":[0.999881,0.00001187669,0.00000886932,0.00002675119,0.0000452891,0.00002626888],"domain_scores_gemma":[0.9997323,0.00004544316,0.00007972863,0.00001412836,0.00005368795,0.0000747586],"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":[0.0001298236,0.000007242624,0.00105961,0.0000315411,0.000006836402,0.00004047895,0.00004555504,0.0001943955,0.9977791,0.000096692,0.00001456994,0.0005942768],"study_design_scores_gemma":[0.00002518779,0.0002911261,0.0158937,0.00001074022,0.00002236608,0.0002983058,0.0001291402,0.005505356,0.9759664,0.00004632571,0.001789283,0.00002216339],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989005,0.0002140118,0.0004014801,0.000008869948,0.000003388065,0.000004348748,0.000120429,0.00001262016,0.0003343299],"genre_scores_gemma":[0.9980228,0.0002386479,0.0008799056,0.00001243749,0.000002788808,0.00001041135,0.0003453112,0.00001955304,0.0004682387],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001983469,"threshold_uncertainty_score":0.003943861,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01969070395838223,"score_gpt":0.24015877255617,"score_spread":0.2204680685977877,"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."}}