{"id":"W2331353799","doi":"10.1021/jp312204u","title":"Adsorption of Hexacyclic C<sub>6</sub>H<sub>6</sub>, C<sub>6</sub>H<sub>8</sub>, C<sub>6</sub>H<sub>10</sub>, and C<sub>6</sub>H<sub>12</sub> on a Mo-Terminated α-Mo<sub>2</sub>C (0001) Surface","year":2013,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Catalysis and Hydrodesulfurization Studies","field":"Engineering","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid; Compute Canada; University of Calgary","keywords":"Adsorption; Benzene; Desorption; Catalysis; Binding energy; Density functional theory; Molecule; Chemistry; Crystallography; Cluster (spacecraft); Materials science; Physical chemistry; Computational chemistry; Organic chemistry; Atomic physics; Physics","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":["metaepi_narrow","sts","scholarly_communication","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.005139038,0.008308544,0.01001451,0.002371534,0.002969396,0.002010935,0.005354232,0.00392739,0.00005982502],"category_scores_gemma":[0.00218546,0.00817404,0.005617431,0.006876901,0.003843444,0.004842531,0.00291988,0.009573279,0.002253011],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.003630718,"about_ca_system_score_gemma":0.001341542,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001003095,"about_ca_topic_score_gemma":0.0002882311,"domain_scores_codex":[0.9658659,0.002118186,0.01006101,0.006069798,0.008070996,0.007814181],"domain_scores_gemma":[0.9736511,0.003817452,0.007682129,0.005855583,0.004318565,0.004675206],"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":[0.002502564,0.003854727,0.0003868705,0.002817278,0.004667158,0.0004381417,0.002980718,0.02329738,0.9208943,0.00007578725,0.01144651,0.02663852],"study_design_scores_gemma":[0.01030251,0.001496734,0.004401579,0.003464938,0.004810378,0.001186688,0.001464878,0.01802507,0.9451114,0.001481479,0.0005149255,0.007739411],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9827372,0.003885735,0.00137334,0.00125511,0.001993378,0.004188738,0.001667827,0.00201982,0.0008787967],"genre_scores_gemma":[0.9718487,0.01690208,0.0001078194,0.0007738042,0.005853571,0.0007583701,0.001458294,0.002236473,0.00006084799],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02421706,"threshold_uncertainty_score":0.999025,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007727746007695324,"score_gpt":0.2049206750159777,"score_spread":0.1971929290082824,"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."}}