{"id":"W2028055064","doi":"10.1021/jp0261962","title":"<sup>14</sup>N Quadrupolar, <sup>14</sup>N and <sup>15</sup>N Chemical Shift, and <sup>14</sup>N−H Dipolar Tensors of Sulfamic Acid","year":2002,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":39,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; University of Guelph; Bruker (Canada)","funders":"","keywords":"Quadrupole; Chemistry; Coupling constant; Anisotropy; Chemical shift; Dipole; Tensor (intrinsic definition); Ab initio quantum chemistry methods; Analytical Chemistry (journal); Ab initio; Crystallography; Atomic physics; Nuclear magnetic resonance; Physical chemistry; Molecule; 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":[0.000242219,0.0001926041,0.0002585225,0.000223309,0.0003542568,0.0001839985,0.0002064829,0.000188876,0.001499299],"category_scores_gemma":[0.0002488457,0.0001318623,0.0001057048,0.0002639953,0.0003601127,0.0001511522,0.00009230047,0.0002341651,0.0002297219],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000388793,"about_ca_system_score_gemma":0.0004092168,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003436828,"about_ca_topic_score_gemma":0.004717413,"domain_scores_codex":[0.9998907,0.00001444184,0.0000056806,0.00001962235,0.00005211273,0.00001747647],"domain_scores_gemma":[0.9998036,0.00003942255,0.0000486443,0.00001265154,0.00006940616,0.00002631892],"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":[0.0001456354,0.00001237036,0.000849864,0.00005245181,0.000005433211,0.00005574023,0.00002144483,0.0003385258,0.9960899,0.0002108855,0.00009936722,0.002118408],"study_design_scores_gemma":[0.00001251557,0.000143355,0.004748982,0.000002586717,0.000009034068,0.0001298119,0.00002614201,0.001820042,0.9917136,0.0001058155,0.001280484,0.00000761762],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958875,0.000337973,0.001264832,0.00003603379,0.000007572384,0.000006903354,0.0004612056,0.0000134968,0.001984522],"genre_scores_gemma":[0.9947785,0.0003391826,0.003186641,0.000017897,0.000006300727,0.000007128202,0.0006885068,0.00001078843,0.0009650199],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003436828,"threshold_uncertainty_score":0.006833673,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0112770882686575,"score_gpt":0.2438594259448905,"score_spread":0.232582337676233,"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."}}