{"id":"W2808126826","doi":"10.1016/j.jcat.2018.05.020","title":"Methanol oxidation on the Au(3 1 0) surface: A theoretical study","year":2018,"lang":"en","type":"article","venue":"Journal of Catalysis","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Deutsche Forschungsgemeinschaft; Times Higher Education; Canadian Association of Research Libraries","keywords":"Chemistry; Methanol; Dissociation (chemistry); Catalysis; Adsorption; Reaction mechanism; Formaldehyde; Associative substitution; Reaction intermediate; Oxygen; Photochemistry; Reaction coordinate; Physical chemistry; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.005482461,0.0001385974,0.0003006225,0.0001048229,0.0002466174,0.0002179697,0.0008784601,0.00004140367,0.00175868],"category_scores_gemma":[0.001788341,0.0000756008,0.0001018949,0.0005106875,0.0007712929,0.0003597426,0.0001537315,0.0001252047,0.0005100437],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001226863,"about_ca_system_score_gemma":0.0002120234,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002062988,"about_ca_topic_score_gemma":0.00001294448,"domain_scores_codex":[0.9976962,0.0002463513,0.0005778026,0.0002212888,0.001002323,0.0002560277],"domain_scores_gemma":[0.9978436,0.0004743377,0.0005418604,0.0005341711,0.0005104879,0.00009559844],"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":[0.0001491466,0.0002690287,0.000236377,0.000005918253,0.00003573308,0.00001788846,0.002378814,0.00005386155,0.9923282,0.003831656,0.0004423314,0.0002510497],"study_design_scores_gemma":[0.0002531479,0.0007033657,0.0008404613,0.00002546425,0.0001467922,0.00008096874,0.001122006,0.0001134718,0.9922999,0.004161982,0.0001411225,0.0001112997],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951546,0.00001691455,0.001762546,0.001113168,0.0008659624,0.0001436048,0.000003743523,0.00001471854,0.0009247183],"genre_scores_gemma":[0.9986402,0.000003042875,0.000636453,0.0001842561,0.0004613226,0.000002979393,5.986029e-7,0.00001061852,0.00006047081],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00369412,"threshold_uncertainty_score":0.9991539,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01654364321918008,"score_gpt":0.2937470691039863,"score_spread":0.2772034258848062,"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."}}