{"id":"W2016907141","doi":"10.1007/s11224-012-0064-5","title":"Density functional study of benzene adsorption on the α-Mo2C(0001) surface","year":2012,"lang":"en","type":"article","venue":"Structural Chemistry","topic":"Catalysis and Hydrodesulfurization Studies","field":"Engineering","cited_by":17,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"Western Canada Research Grid; Compute Canada; University of Calgary","keywords":"Adsorption; Benzene; Chemistry; Density functional theory; Catalysis; Molybdenum; Carbide; Physical chemistry; Ring (chemistry); Carbon fibers; Computational chemistry; Inorganic chemistry; Organic chemistry; Materials science; Composite number","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":[0.00006790295,0.0001079576,0.0001263088,0.000007541924,0.00007303585,0.000009253761,0.00006322213,0.00003510632,0.000255753],"category_scores_gemma":[0.00001692056,0.00006769924,0.00004351757,0.0001033558,0.00002368681,0.00005519012,0.00002942671,0.0001025819,0.000008954079],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003316389,"about_ca_system_score_gemma":0.000002891039,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007001785,"about_ca_topic_score_gemma":0.000003593328,"domain_scores_codex":[0.9994426,0.000007799652,0.0001469811,0.00008751939,0.0001880367,0.0001270726],"domain_scores_gemma":[0.9996647,0.00003802204,0.00003790731,0.00018388,0.0000436855,0.00003176969],"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":[0.00003802952,0.00009420588,0.04981713,0.00008790696,0.0003310812,4.135905e-7,0.001468074,0.0350561,0.910581,0.00008409747,0.002020623,0.000421373],"study_design_scores_gemma":[0.0003625104,0.00001969946,0.2814106,0.000009110274,0.00006870947,0.000006326096,0.001447812,0.001495338,0.7147209,0.00006240016,0.000195541,0.0002010702],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985261,0.0001091687,0.00001466244,0.00002357189,0.0001627702,0.00006638959,0.00001058748,0.00005595384,0.001030794],"genre_scores_gemma":[0.9996125,0.00000567544,0.000008777086,0.000009580994,0.0001763744,0.000003312432,0.00002101547,0.000009948261,0.0001527878],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2315934,"threshold_uncertainty_score":0.2800316,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01634072169043593,"score_gpt":0.2097154991932649,"score_spread":0.193374777502829,"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."}}