{"id":"W3002584638","doi":"10.1039/c9cp06267j","title":"Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy","year":2020,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chalcogen; Solid-state; Spectroscopy; Solid-state nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy; Materials science; Crystallography; Chemistry; Infrared spectroscopy; Nuclear magnetic resonance; Physical chemistry; Stereochemistry; Organic chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00001702908,0.0002489647,0.0003095976,0.000004851838,0.00005234454,0.00002899068,0.0001762151,0.00008361032,0.00009351785],"category_scores_gemma":[0.00006294621,0.0002746211,0.0001466847,0.0001823671,0.0003119237,0.0001093815,0.0001033756,0.0003194873,0.000004553846],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002637716,"about_ca_system_score_gemma":0.00003108778,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006994227,"about_ca_topic_score_gemma":7.408898e-8,"domain_scores_codex":[0.9987532,0.000009122696,0.000259428,0.0004622923,0.0002734702,0.0002424924],"domain_scores_gemma":[0.9992522,0.00009357605,0.0001267856,0.0002094448,0.00007149359,0.0002464937],"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":[0.00007298127,0.0001372181,0.00009153537,0.000216728,0.00002857738,0.000001873223,0.0003316229,0.00001870631,0.9976193,0.00004252134,0.0009433939,0.0004955999],"study_design_scores_gemma":[0.0004030932,0.00002722059,0.00001566493,0.00003726391,0.00004108234,0.000001862152,0.00002638652,0.005237048,0.9916611,0.0012617,0.001030549,0.0002570789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.99348,0.0002484572,0.000312001,0.000304813,0.000005797881,0.00005443885,0.0003649259,0.00009531614,0.005134286],"genre_scores_gemma":[0.9985016,0.00002483578,0.0005966682,0.000163806,0.0003348717,0.00001886442,0.0002806209,0.0000374702,0.00004123763],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005958192,"threshold_uncertainty_score":0.9999706,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00882454296287282,"score_gpt":0.2296952187548072,"score_spread":0.2208706757919343,"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."}}