{"id":"W2619945141","doi":"10.1021/jacs.7b01783","title":"Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy","year":2017,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Merck KGaA","keywords":"Chemistry; Coupling constant; Resonance (particle physics); Crystallography; Spectroscopy; Boron; Molecular orbital; Nuclear magnetic resonance spectroscopy; Atomic orbital; Solid-state nuclear magnetic resonance; Electron; Coupling (piping); Nuclear magnetic resonance; Molecular physics; Molecule; Atomic physics; Stereochemistry; 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":[],"consensus_categories":[],"category_scores_codex":[0.00004574818,0.0001842204,0.0004018736,0.000009230955,0.0002311759,0.00004247611,0.0008067605,0.00006170395,0.00002281422],"category_scores_gemma":[0.00007590087,0.0001291854,0.0002887085,0.00008517571,0.0007763149,0.0001020031,0.0001810348,0.00062753,4.419581e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001587857,"about_ca_system_score_gemma":0.00007112454,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001295496,"about_ca_topic_score_gemma":0.0000179274,"domain_scores_codex":[0.99886,0.00001452781,0.0003764198,0.0002169029,0.0002381997,0.0002939614],"domain_scores_gemma":[0.9980627,0.00009782385,0.001093886,0.0005842641,0.00008015368,0.00008118161],"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":[0.00008290038,0.00005329537,0.001055093,0.00001325185,0.00003921533,5.642508e-7,0.0001565178,0.00002121185,0.9933728,0.00005233011,0.0001004566,0.005052336],"study_design_scores_gemma":[0.0007288984,0.0001033369,0.01018396,0.00008589732,0.00008525896,0.0000173402,0.0001892897,0.001788636,0.9551238,0.02798397,0.003470553,0.0002390095],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960144,0.002958455,0.0004153204,0.0004390572,0.00001019257,0.00006511586,0.00003005359,0.00001703209,0.00005036384],"genre_scores_gemma":[0.9871551,0.004376035,0.008240272,0.00006806697,0.00006815414,0.000005252155,0.000002099849,0.00003042943,0.00005460006],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03824898,"threshold_uncertainty_score":0.5268029,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003565725434798869,"score_gpt":0.2715516405599659,"score_spread":0.267985915125167,"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."}}