{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00015345,0.000220073,0.0003491222,0.0001507225,0.0002118613,0.0003302503,0.0005646451,0.0003729325,0.001710141],"category_scores_gemma":[0.0004110856,0.0001527656,0.0001788809,0.0002516682,0.0003360996,0.0003092165,0.0002027314,0.0002414355,0.000134485],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004183063,"about_ca_system_score_gemma":0.0003717676,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003117386,"about_ca_topic_score_gemma":0.004788095,"domain_scores_codex":[0.9999368,0.00001165221,0.000001930828,0.00001160354,0.00002532328,0.00001271346],"domain_scores_gemma":[0.9998298,0.00007753706,0.00002887745,0.00002599465,0.00002736376,0.00001040042],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003810256,0.0003463073,0.01420058,0.0007005381,0.0002228635,0.0004964774,0.0001741622,0.7324133,0.2021406,0.01589989,0.00155565,0.03146854],"study_design_scores_gemma":[0.00006265728,0.000209092,0.00347334,0.000007406086,0.00003413502,0.00005965774,0.00012983,0.9388803,0.05465912,0.001092158,0.001378213,0.00001419048],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929947,0.0001239678,0.003779217,0.0000507868,0.000003900862,0.0000091351,0.0001985062,0.00005212452,0.002787569],"genre_scores_gemma":[0.9929954,0.00009697299,0.006320587,0.00001439647,0.000003145816,0.00001922802,0.0002484228,0.0000161396,0.0002854825],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003117386,"threshold_uncertainty_score":0.006198466,"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."}}