{"id":"W2330031083","doi":"10.1021/ja508361h","title":"Anisotropic Covalency Contributions to Superexchange Pathways in Type One Copper Active Sites","year":2014,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":78,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Division of Chemistry; National Institute of Diabetes and Digestive and Kidney Diseases; Achievement Rewards for College Scientists Foundation; National Institutes of Health; National Science Foundation","keywords":"Chemistry; Superexchange; Copper; Anisotropy; Chemical physics; Organic chemistry; Ion; Quantum mechanics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002412774,0.0002708564,0.0001887921,0.0002888762,0.0003220706,0.0004566782,0.0003882496,0.0002723122,0.002440038],"category_scores_gemma":[0.0003772007,0.0002565589,0.0001080792,0.0001788664,0.0003193375,0.0005541708,0.0004333294,0.0003830217,0.0002144683],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000259645,"about_ca_system_score_gemma":0.0001327793,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002820518,"about_ca_topic_score_gemma":0.0004745993,"domain_scores_codex":[0.9998927,0.00001946401,0.000005567807,0.00002165651,0.00002634545,0.00003424305],"domain_scores_gemma":[0.9998168,0.00006700319,0.00003325126,0.00002081901,0.00002568545,0.00003635188],"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":[0.0007844797,0.0001700553,0.005831037,0.0004117591,0.00005577389,0.0008935945,0.0006536337,0.01203323,0.9193089,0.04275035,0.0005416822,0.01656555],"study_design_scores_gemma":[0.0003460146,0.001032345,0.02807911,0.0000462743,0.0001150502,0.00126777,0.001367729,0.1997591,0.7335466,0.02978377,0.004509097,0.0001471635],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952584,0.0001903223,0.002185315,0.00003657072,0.000005991,0.000007320173,0.0000163752,0.00003060392,0.002269229],"genre_scores_gemma":[0.9992862,0.0001216351,0.0002879548,0.000006953753,0.000002668641,0.000007383843,0.00001508302,0.000006870334,0.0002653445],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002440038,"threshold_uncertainty_score":0.008162737,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01215829092088413,"score_gpt":0.2453037232568398,"score_spread":0.2331454323359557,"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."}}