{"id":"W6922167164","doi":"10.1021/cg200889y.s004","title":"Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Inorganic Fluorides and Related Compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Thiocyanate; Halogen bond; Halogen; Chemical shift; Nuclear magnetic resonance spectroscopy; Residual dipolar coupling; Context (archaeology); Resonance (particle physics); NMR spectra database","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003031349,0.0001968281,0.0002572565,0.000214729,0.0004953241,0.0002653674,0.000534313,0.0003595744,0.001019799],"category_scores_gemma":[0.0004876595,0.0001759921,0.0001267043,0.0003008572,0.0003829649,0.0002006809,0.0002291033,0.0004505994,0.0001938073],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003644592,"about_ca_system_score_gemma":0.0002661968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003065703,"about_ca_topic_score_gemma":0.003802785,"domain_scores_codex":[0.999832,0.00005211653,0.00001072595,0.00002505429,0.0000550559,0.00002498629],"domain_scores_gemma":[0.9998589,0.00003119776,0.00002867464,0.00002395129,0.00003853155,0.00001879238],"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":[0.0004660801,0.00009021047,0.001171635,0.0002349878,0.00005160096,0.0001912625,0.0003811301,0.0008633108,0.9888729,0.001014188,0.0008266073,0.005836041],"study_design_scores_gemma":[0.0001551831,0.001135055,0.005886463,0.00002304521,0.00005683096,0.0005021076,0.0002366004,0.003324444,0.9777172,0.0001394495,0.0107843,0.00003928925],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9940858,0.001050058,0.001560724,0.0002193377,0.00002410604,0.00001893843,0.0001217082,0.00003610655,0.002883352],"genre_scores_gemma":[0.9950234,0.0006074284,0.002472464,0.00006779324,0.00001541811,0.00001476084,0.000386033,0.00001806498,0.001394661],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003065703,"threshold_uncertainty_score":0.006095707,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.016071424101599,"score_gpt":0.2332912686937733,"score_spread":0.2172198445921743,"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."}}