{"id":"W6884500270","doi":"10.1021/jp304122n.s001","title":"DFT+U Study of Properties\\nof MoO&lt;sub&gt;3&lt;/sub&gt; and Hydrogen\\nAdsorption on MoO&lt;sub&gt;3&lt;/sub&gt;(010)","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Catalysis and Oxidation Reactions","field":"Chemical Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"","keywords":"Oxygen; Hydrogen; Vacancy defect; Catalysis; Terminal (telecommunication); Density functional theory","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":[0.0003601062,0.0005305111,0.0007156521,0.0005610877,0.0006421076,0.0003771418,0.000954538,0.0008939255,0.004483238],"category_scores_gemma":[0.0004361263,0.0002085241,0.000567917,0.0005280434,0.0005090869,0.0004630284,0.0005584997,0.000599623,0.0003157023],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004999997,"about_ca_system_score_gemma":0.0004427073,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006803806,"about_ca_topic_score_gemma":0.007837813,"domain_scores_codex":[0.999811,0.00003299511,0.000005225585,0.00001537867,0.0000661602,0.0000693156],"domain_scores_gemma":[0.9998327,0.00007047735,0.00001399843,0.00002755585,0.00004038102,0.00001488073],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001225159,0.0005954106,0.01739297,0.005222046,0.0003975046,0.003853697,0.0008463677,0.5364797,0.1531998,0.1596852,0.02927845,0.09182369],"study_design_scores_gemma":[0.00003124221,0.0001071267,0.004918824,0.00003707975,0.00002121734,0.00008487549,0.0001735588,0.982996,0.007373018,0.002781611,0.001455959,0.00001938416],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9619451,0.001102626,0.01217845,0.0007454753,0.0000867053,0.00003987529,0.001024748,0.0002485221,0.02262855],"genre_scores_gemma":[0.9943761,0.000367913,0.003076194,0.0001241014,0.00002064262,0.00009268081,0.0008388531,0.00003915963,0.001064407],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006803806,"threshold_uncertainty_score":0.01499796,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0277966368055371,"score_gpt":0.2210184778546906,"score_spread":0.1932218410491535,"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."}}