{"id":"W1974270129","doi":"10.1021/jp021937k","title":"Characterization of the Pentacoordinate Sodium Cations in Hydrated Nucleoside 5‘-Phosphates by Solid-State <sup>23</sup>Na NMR and Quantum Mechanical Calculations","year":2003,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Ion; Crystallography; Molecule; Nucleoside; Quadrupole; Solid-state nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy; Electric field gradient; Stereochemistry; Nuclear magnetic resonance; Organic chemistry; Atomic physics","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":[0.0002214101,0.0002634281,0.0002868916,0.0001395815,0.0002809512,0.0002906055,0.0005853764,0.0003069034,0.000939741],"category_scores_gemma":[0.000426895,0.0001873655,0.0001573156,0.0001439437,0.0004870472,0.0003111031,0.0003024992,0.0003838604,0.0001357502],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002678618,"about_ca_system_score_gemma":0.0003550282,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001205527,"about_ca_topic_score_gemma":0.001482667,"domain_scores_codex":[0.9999197,0.00001724523,0.000004148382,0.00001483209,0.00003541121,0.000008741499],"domain_scores_gemma":[0.9998598,0.00006258096,0.00002214872,0.00001691899,0.00002415446,0.00001429337],"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":[0.0006375158,0.0001184792,0.004785191,0.000491934,0.00008938029,0.0005141399,0.0004449773,0.1330098,0.828949,0.01040021,0.0004973731,0.02006201],"study_design_scores_gemma":[0.0001625189,0.000716236,0.003891438,0.00002411503,0.00005162454,0.0002224065,0.0002848964,0.4213009,0.5647076,0.003565746,0.004999961,0.0000725284],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9913725,0.0001814664,0.007221892,0.00004575033,0.000008333868,0.00001282267,0.00008847974,0.0000584783,0.001010203],"genre_scores_gemma":[0.9915242,0.0002041676,0.007858246,0.00001270929,0.000004242876,0.00002335212,0.0001700326,0.00001764858,0.0001853204],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001205527,"threshold_uncertainty_score":0.003143728,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007168119864619365,"score_gpt":0.2536879891897422,"score_spread":0.2465198693251228,"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."}}