{"id":"W4200459809","doi":"10.1002/cssc.202101657","title":"Systematic Influence of Electronic Modification of Ligands on the Catalytic Rate of Water Oxidation by a Single‐Site Ru‐Based Catalyst","year":2021,"lang":"en","type":"article","venue":"ChemSusChem","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Argonne National Laboratory; Division of Chemistry; National Institute of General Medical Sciences; U.S. Department of Energy; Office of Science; Canadian Light Source; National Science Foundation","keywords":"Catalysis; Chemistry; Ruthenium; Surface modification; Combinatorial chemistry; Inorganic chemistry; Chemical engineering; Organic chemistry; Physical chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002764722,0.0002693677,0.0002181347,0.0001288816,0.00009324885,0.0003498883,0.0003923938,0.0002941857,0.001087856],"category_scores_gemma":[0.0006245774,0.0001602803,0.00009427131,0.0001292154,0.0002472918,0.0002336002,0.0001829891,0.0003556623,0.0001899736],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001668345,"about_ca_system_score_gemma":0.00009357014,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002937011,"about_ca_topic_score_gemma":0.0003793063,"domain_scores_codex":[0.9998079,0.00004240693,0.00001695224,0.00005227237,0.00004186366,0.00003866723],"domain_scores_gemma":[0.9997206,0.0001151162,0.00005889503,0.000036899,0.00004137887,0.00002713367],"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":[0.0001657438,0.00003365039,0.000129736,0.0000330759,0.000007671416,0.00002505535,0.00001608565,0.0001301207,0.998188,0.00005234938,0.00003059698,0.001187926],"study_design_scores_gemma":[0.000007502795,0.000118626,0.0004124867,0.000002103235,0.000005918412,0.00001437573,0.000007534876,0.001017441,0.9982191,0.000006907958,0.0001846208,0.000003391842],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983651,0.0002278651,0.0007566224,0.00002425141,0.00001274953,0.000008966615,0.00003952421,0.0000343577,0.0005306979],"genre_scores_gemma":[0.9991071,0.00008820787,0.0004891828,0.00001294794,0.000002374566,0.000008216622,0.00003074275,0.00001348335,0.0002477872],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001087856,"threshold_uncertainty_score":0.003639221,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008728450781696014,"score_gpt":0.2037209544489769,"score_spread":0.1949925036672809,"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."}}