{"id":"W2076990080","doi":"10.1021/ja020394p","title":"Anisotropic NMR Interaction Tensors in the Decamethylaluminocenium Cation","year":2002,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"","keywords":"Chemistry; Electric field gradient; Nuclear magnetic resonance crystallography; Density functional theory; Chemical shift; Ab initio; Solid-state nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy; Crystallography; Carbon-13 NMR; Carbon-13 NMR satellite; Computational chemistry; Quadrupole; Nuclear magnetic resonance; Fluorine-19 NMR; Physical chemistry; Stereochemistry; Atomic physics; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001055522,0.00008650991,0.0001501606,0.000008961878,0.00006732494,0.00001795465,0.0004479358,0.00004066247,0.00007758808],"category_scores_gemma":[0.00007462101,0.00004945494,0.0002686265,0.0002865425,0.0001850934,0.00007737758,0.00003973121,0.000539129,0.000002990343],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001892126,"about_ca_system_score_gemma":0.00000964462,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002388159,"about_ca_topic_score_gemma":7.670013e-7,"domain_scores_codex":[0.9992467,0.00002210368,0.0002887417,0.00009413096,0.0002140082,0.0001343494],"domain_scores_gemma":[0.9989843,0.0001413114,0.0005387238,0.0002423214,0.00006265303,0.00003066409],"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":[0.0000150557,0.0002256256,0.002944702,0.00001288294,0.00002815441,9.886904e-7,0.001092769,0.0001832817,0.9714345,0.0001269397,0.01214653,0.01178852],"study_design_scores_gemma":[0.0008913585,0.00009580075,0.005146566,0.0001394079,0.0001429439,0.0003974362,0.01296884,0.007939201,0.8841143,0.003878938,0.0838432,0.0004419645],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993593,0.0000707164,0.0006632416,0.004600515,0.00000949296,0.00004070167,0.000001954878,0.00001354021,0.001006847],"genre_scores_gemma":[0.99458,0.0002561012,0.004027688,0.000855408,0.0001739065,0.00000921139,6.572127e-7,0.000009230053,0.0000877867],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0873202,"threshold_uncertainty_score":0.2342277,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01801212779602685,"score_gpt":0.2893059957005284,"score_spread":0.2712938679045016,"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."}}