{"id":"W4394837492","doi":"10.1021/acscatal.4c00440","title":"Catalytic Consequences of Protons in Methanol Oxidative Dehydrogenation on Molybdenum-Based Polyoxometalate Clusters","year":2024,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Polyoxometalates: Synthesis and Applications","field":"Materials Science","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; University of Toronto; Suncor Energy Incorporated","keywords":"Chemistry; Catalysis; Redox; Polyoxometalate; Inorganic chemistry; Dehydrogenation; Methanol; Enthalpy; Transition state; Photochemistry; Organic chemistry","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":[0.0007084682,0.0002156594,0.0003841578,0.0007427699,0.00007629437,0.00009069137,0.0003764672,0.00008908899,0.0001341878],"category_scores_gemma":[0.0002214148,0.000181733,0.0001591829,0.001578288,0.0003203952,0.0002809665,0.00005413816,0.0001151982,0.0003583766],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001250186,"about_ca_system_score_gemma":0.0001799158,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004074148,"about_ca_topic_score_gemma":0.00007371873,"domain_scores_codex":[0.9981325,0.0001198417,0.0005165155,0.0005347274,0.0003996683,0.0002967571],"domain_scores_gemma":[0.9986137,0.0005762007,0.0001728423,0.0004993747,0.00005886029,0.00007908222],"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":[0.00001570359,0.0001230363,0.0001211896,0.00007039852,0.00006135408,0.000009153438,0.0004134928,0.0009123003,0.9952261,0.001372575,0.00001554163,0.001659158],"study_design_scores_gemma":[0.0001407733,0.00004401939,0.0002353389,0.0001425873,0.000138836,0.000002824715,0.00009482587,0.00221734,0.9960127,0.0005840323,0.0001975947,0.0001891538],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962965,0.0003934321,0.000582921,0.0009551012,0.00007788998,0.0006865488,0.0001739627,0.0001035361,0.0007300667],"genre_scores_gemma":[0.9986665,0.00001760979,0.000400957,0.00007308378,0.00001708689,0.0005458769,0.00009304588,0.00002464166,0.000161246],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002369911,"threshold_uncertainty_score":0.7410857,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02096978107155537,"score_gpt":0.2826712408405523,"score_spread":0.2617014597689969,"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."}}