{"id":"W142090260","doi":"10.1007/128_2014_542","title":"Solid-State NMR Study of Halogen-Bonded Adducts","year":2014,"lang":"en","type":"article","venue":"Topics in current chemistry","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":31,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Ottawa","funders":"Fonds de recherche du Québec – Nature et technologies; Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Halogen; Halogen bond; Nuclear magnetic resonance spectroscopy; Chemical shift; Halide; Carbon-13 NMR satellite; Adduct; J-coupling; Coupling constant; NMR spectra database; Solid-state nuclear magnetic resonance; Computational chemistry; Fluorine-19 NMR; Physical chemistry; Stereochemistry; Nuclear magnetic resonance; Organic chemistry; Spectral line; Alkyl","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":[0.0002510237,0.0002657659,0.00017863,0.0002672806,0.0005328087,0.0002551849,0.0006039954,0.0004970102,0.005119215],"category_scores_gemma":[0.0003148093,0.0001653605,0.0001461382,0.0003460119,0.0004480477,0.0004491929,0.0002589017,0.000611384,0.0005451691],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002116766,"about_ca_system_score_gemma":0.0002222946,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000949521,"about_ca_topic_score_gemma":0.001123426,"domain_scores_codex":[0.9998733,0.00003017963,0.000003218768,0.00002739649,0.00002351679,0.00004239369],"domain_scores_gemma":[0.9997817,0.00006969077,0.00003951096,0.00003158614,0.00004051705,0.00003698405],"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":[0.0008203299,0.00009690792,0.000493466,0.00009582833,0.00004304801,0.0002330443,0.0002076393,0.0005268232,0.9941384,0.00106229,0.0002902316,0.001992098],"study_design_scores_gemma":[0.00008042058,0.0007751882,0.005757038,0.00001689118,0.00004412412,0.0002777781,0.0002220352,0.003069377,0.9851063,0.0004227493,0.004197043,0.00003092587],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9931139,0.0007423593,0.001589919,0.0001459497,0.00002574422,0.00001012154,0.0002382027,0.0000420593,0.004091724],"genre_scores_gemma":[0.9963392,0.0004049014,0.0006917418,0.00005402875,0.00002321944,0.000007117577,0.0003523208,0.00001420488,0.002113462],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005119215,"threshold_uncertainty_score":0.01712543,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02750304997883536,"score_gpt":0.3548483629796294,"score_spread":0.3273453130007941,"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."}}