{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000560901,0.0002422224,0.0002906279,0.0001519703,0.0002141081,0.0001884802,0.0002789193,0.0003638972,0.003049738],"category_scores_gemma":[0.0001271644,0.000141927,0.0001902968,0.0001853761,0.0001116689,0.0001610466,0.0001519356,0.0002473444,0.0002827217],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003737272,"about_ca_system_score_gemma":0.0001590395,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004341545,"about_ca_topic_score_gemma":0.006515915,"domain_scores_codex":[0.9999425,0.0000032611,0.000001547729,0.000009165346,0.00001950497,0.00002389384],"domain_scores_gemma":[0.9999677,0.00001045219,0.00000436922,0.00000324914,0.000007151528,0.000007079503],"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":[0.0008413094,0.000192099,0.005412939,0.0005979361,0.00009034642,0.0004303621,0.0001832944,0.08909146,0.8879405,0.001953629,0.001361581,0.01190451],"study_design_scores_gemma":[0.00005356043,0.0007236005,0.0089654,0.00002634754,0.00004356526,0.00009441278,0.0002583228,0.3272542,0.659812,0.0004669417,0.00226914,0.00003245545],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978259,0.000199676,0.0005526851,0.00003164668,0.00001160762,0.000005264431,0.0001944694,0.00001739944,0.001161324],"genre_scores_gemma":[0.997725,0.0002242187,0.0007044218,0.00001414627,0.000002991492,0.00000734442,0.0002396108,0.000006353096,0.001076059],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004341545,"threshold_uncertainty_score":0.01020235,"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."}}