{"id":"W2031724271","doi":"10.1016/s0009-2614(00)00172-x","title":"UB1LYP hybrid density functional studies of the 2,2,6,6-tetramethyl-4-piperidone-oxyl (TEMPONE) hyperfine tensors","year":2000,"lang":"en","type":"article","venue":"Chemical Physics Letters","topic":"Electron Spin Resonance Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":32,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Hyperfine structure; Electron paramagnetic resonance; Chemistry; Tensor (intrinsic definition); Solvent; Nuclear magnetic resonance; Computational chemistry; Spin (aerodynamics); Molecular physics; Atomic physics; Physics; Organic chemistry; Thermodynamics; Geometry","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":[0.00007848345,0.0002251766,0.0002827451,0.00000993193,0.0001129936,0.000006802707,0.0002410268,0.0000583101,0.00001514011],"category_scores_gemma":[0.00009481562,0.0001709041,0.0002332062,0.0001380352,0.0006256026,0.000005162636,0.0001447516,0.0002022054,0.00001080338],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000366548,"about_ca_system_score_gemma":0.00003093699,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000677907,"about_ca_topic_score_gemma":0.000001128529,"domain_scores_codex":[0.9987804,0.00004142516,0.0002303072,0.0003890737,0.000252115,0.000306677],"domain_scores_gemma":[0.9992946,0.0000392904,0.00008648103,0.0004245775,0.0001133407,0.00004166889],"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":[0.00007790746,0.00006775824,0.001893808,0.00002460829,0.0001860119,0.000001761878,0.00003354928,0.0001026435,0.9769901,0.00002459554,0.01812375,0.00247349],"study_design_scores_gemma":[0.0003700838,0.00003883782,0.003480299,0.00001897176,0.00003993815,0.000009724522,0.00002611684,0.000008827558,0.9899656,0.0001612406,0.005680759,0.0001996559],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965782,0.00116652,0.00008426484,0.001707806,0.0001106545,0.0001314358,0.00001536493,0.000015538,0.0001902712],"genre_scores_gemma":[0.9964361,0.0002146729,0.0001892305,0.002305843,0.0005232471,0.00002149969,0.0000266388,0.0000253606,0.0002574111],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01297543,"threshold_uncertainty_score":0.6969266,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01666125269458178,"score_gpt":0.2400681924132024,"score_spread":0.2234069397186206,"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."}}