{"id":"W1982673278","doi":"10.1021/jp993844h","title":"A Density Functional Theory Study of the Radiation Products of Glycine","year":2000,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Hyperfine structure; Radical; Hyperfine coupling; Density functional theory; Protonation; Glycine; Chemistry; Coupling constant; Conformational isomerism; Computational chemistry; Coupling (piping); Crystallography; Nuclear magnetic resonance; Molecular physics; Molecule; Atomic physics; Materials science; Physics; Organic chemistry; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003199203,0.0001007592,0.000242528,0.000005652484,0.00006393237,0.000004410371,0.0003161667,0.00003500357,0.000494522],"category_scores_gemma":[0.00014977,0.00005220071,0.0001338627,0.0001446539,0.0001643305,0.00005027753,0.00003286596,0.0003001813,0.000001594601],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002192726,"about_ca_system_score_gemma":0.00006922209,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006712723,"about_ca_topic_score_gemma":3.531654e-7,"domain_scores_codex":[0.9989757,0.00005958141,0.0003358127,0.00008104766,0.000447781,0.0001000653],"domain_scores_gemma":[0.998934,0.0001659931,0.0004089962,0.0003013026,0.0001503326,0.00003941093],"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":[0.0005205992,0.001373543,0.0003290192,0.0001057299,0.0001211777,0.000001794596,0.0005445866,0.0009901137,0.9933204,0.00002465252,0.0002172551,0.002451124],"study_design_scores_gemma":[0.0009465473,0.00008181431,0.008300142,0.00008105821,0.000173756,0.00005156467,0.0003232021,0.0002556097,0.988847,0.0007491623,0.0001289713,0.00006119566],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9982482,0.0001029217,0.000007196041,0.0001655911,0.00001547509,0.00003870967,0.000005093119,0.000003785119,0.001413006],"genre_scores_gemma":[0.998557,0.00001214152,0.000002671869,0.00001261536,0.0006277949,6.234876e-7,6.492253e-7,0.000007685932,0.0007788069],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007971123,"threshold_uncertainty_score":0.541467,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008262030230925735,"score_gpt":0.2128157107873042,"score_spread":0.2045536805563785,"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."}}