{"id":"W2899066465","doi":"10.1021/acsomega.8b01936","title":"Catalytic Hydrogenation of <i>p</i>-Chloronitrobenzene to <i>p</i>-Chloroaniline Mediated by γ-Mo<sub>2</sub>N","year":2018,"lang":"en","type":"article","venue":"ACS Omega","topic":"Nanomaterials for catalytic reactions","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"National Computational Infrastructure","keywords":"Adsorption; Catalysis; Selectivity; Transition state; Chemistry; Kinetics; Reaction rate constant; Nitro; Nitrobenzene; Crystallography; Physical chemistry; Materials science; Organic chemistry; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000273038,0.0003545401,0.0004753499,0.0001748448,0.0001343682,0.00004847203,0.0005044215,0.0002453426,0.00006408503],"category_scores_gemma":[0.0004286059,0.000365751,0.000123569,0.000554932,0.0001726652,0.0003014022,0.000181725,0.0001508819,0.0008604793],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002365336,"about_ca_system_score_gemma":0.0001144243,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001588828,"about_ca_topic_score_gemma":0.00007545597,"domain_scores_codex":[0.9975649,0.0000179079,0.0007787687,0.0005654648,0.0005310444,0.0005419301],"domain_scores_gemma":[0.9981053,0.0001612941,0.0003349568,0.000778922,0.000335335,0.0002842191],"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":[0.00008804219,0.0001776642,0.0001739139,0.0000690417,0.00009583149,0.000003372532,0.0001535639,0.000004106252,0.9915779,0.00005619937,0.006222159,0.001378215],"study_design_scores_gemma":[0.0008160179,0.0001020099,0.00007920306,0.00005139708,0.00009474994,0.00002666556,0.00004281117,0.00007841746,0.9846833,0.0001945091,0.01347819,0.0003527275],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945595,0.0001156355,0.0000980258,0.0002287311,0.0003087603,0.0002159764,0.0005161195,0.0002327389,0.003724538],"genre_scores_gemma":[0.9978291,0.000044518,0.00009328958,0.000217438,0.000404867,0.0000649726,0.0008914119,0.00009397815,0.0003604503],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007256026,"threshold_uncertainty_score":0.9999174,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007791116241896421,"score_gpt":0.2235084404146796,"score_spread":0.2157173241727831,"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."}}