{"id":"W2065930213","doi":"10.1021/jp806919k","title":"Role of the Geometry, Restricted Rotations and Solvents on the Computed 2,2′-Diphenyl-1-picrylhydrazyl Hyperfine Tensors","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Electron Spin Resonance Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Hyperfine structure; Tensor (intrinsic definition); Chemistry; Isotropy; Proton; Computational chemistry; Nuclear magnetic resonance; Atomic physics; Molecular physics; Geometry; Physics; Quantum mechanics; Mathematics","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":[0.0001031494,0.0001202004,0.000170033,0.000009494097,0.0002066578,0.00000490565,0.0003631353,0.00004406665,0.000003534218],"category_scores_gemma":[0.0002147927,0.00005677949,0.000125601,0.0001865073,0.0003412891,0.000002821956,0.0001243841,0.0002698401,6.408747e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001112073,"about_ca_system_score_gemma":0.00005878209,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004710037,"about_ca_topic_score_gemma":8.492511e-7,"domain_scores_codex":[0.9992492,0.00006572127,0.0002023596,0.0000941478,0.0002404335,0.0001481501],"domain_scores_gemma":[0.9991491,0.0001143612,0.0002673017,0.0002709672,0.0001621822,0.00003608288],"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":[0.00009363307,0.0001157935,0.0003203163,0.000007297703,0.000105393,7.099596e-7,0.0001399035,0.0006821461,0.9975425,0.00002170346,0.0008056145,0.0001650104],"study_design_scores_gemma":[0.0003960477,0.0002413746,0.02582887,0.00003442977,0.00005566107,0.00007643397,0.0001592484,0.0003781928,0.971391,0.0001894727,0.001171694,0.0000775295],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979019,0.000784586,0.00002505833,0.0008115943,0.0000093433,0.00007988302,0.000007418097,0.000002244667,0.0003780117],"genre_scores_gemma":[0.9992368,0.0002130707,0.00001918713,0.00009782931,0.0002695685,0.000002590122,0.000001702987,0.000009673803,0.0001496214],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02615144,"threshold_uncertainty_score":0.23154,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00844716228809821,"score_gpt":0.2254579099935957,"score_spread":0.2170107477054975,"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."}}