{"id":"W2329941512","doi":"10.1021/jacs.5b00672","title":"Magnetic Ordering and Anisotropy in Heavy Atom Radicals","year":2015,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":76,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Division of Materials Research; Division of Chemistry; Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Delocalized electron; Antiferromagnetism; Anisotropy; Atom (system on chip); Ferromagnetism; Intermolecular force; Ab initio; Condensed matter physics; Magnetic anisotropy; Density functional theory; Magnetization; Spin (aerodynamics); Ab initio quantum chemistry methods; Radical; Chemical physics; Computational chemistry; Molecule; Magnetic field; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000721459,0.0001025022,0.00008367993,0.0002668659,0.0003059084,0.0002574597,0.0001537994,0.0001604878,0.002062012],"category_scores_gemma":[0.000160407,0.0001046262,0.00004268319,0.0001020472,0.000340552,0.0001781546,0.0002074245,0.0002113666,0.0001191994],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001824562,"about_ca_system_score_gemma":0.0001163497,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000577712,"about_ca_topic_score_gemma":0.0008967299,"domain_scores_codex":[0.9999499,0.000006933689,0.000002100566,0.00001316765,0.00001298501,0.00001478657],"domain_scores_gemma":[0.9999082,0.00002075133,0.00002992643,0.000007896338,0.0000180397,0.00001516027],"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":[0.0002435983,0.00002104113,0.001340125,0.000104353,0.000005605581,0.0001862072,0.0001902071,0.00045516,0.9859428,0.007945034,0.0003015025,0.003264291],"study_design_scores_gemma":[0.0001487138,0.0004234905,0.01457565,0.00002370816,0.0000245954,0.0006005302,0.0002939526,0.00991383,0.9541079,0.007858125,0.01199428,0.00003526581],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9963049,0.0004872184,0.0005054895,0.00006848443,0.00001037226,0.000003478383,0.00003051096,0.00001965247,0.002569964],"genre_scores_gemma":[0.9987897,0.0001203211,0.0002701486,0.00001047484,0.000005875896,0.000002270189,0.0000239252,0.000005348968,0.0007719155],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002062012,"threshold_uncertainty_score":0.006898165,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01838157861750959,"score_gpt":0.2683397400167373,"score_spread":0.2499581613992277,"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."}}