{"id":"W4220798489","doi":"10.1139/cjc-2021-0299","title":"Theoretical study of water-assisted reaction between methane and nitrosonium cation","year":2022,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Ammonia Synthesis and Nitrogen Reduction","field":"Chemical Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of the Fraser Valley","funders":"","keywords":"Chemistry; Catalysis; Molecule; Protonation; Methane; Hydrate; Density functional theory; Reactivity (psychology); Decomposition; Activation energy; Computational chemistry; Photochemistry; Physical chemistry; Organic chemistry; Ion","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":true,"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":[0.000285351,0.00007460534,0.0001874045,0.00005966819,0.00006814122,0.000008452921,0.0001028459,0.00004537067,0.0003869333],"category_scores_gemma":[0.00006188588,0.00006609574,0.00004649459,0.0000750523,0.00005200539,0.00004613004,0.00001486641,0.0002785543,3.446903e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001800033,"about_ca_system_score_gemma":0.0001255539,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005596476,"about_ca_topic_score_gemma":0.00003981739,"domain_scores_codex":[0.9992813,0.00003618432,0.0002948365,0.00008477417,0.0001632946,0.0001395564],"domain_scores_gemma":[0.9994349,0.0000364067,0.0001302866,0.00009617743,0.00007555685,0.0002266396],"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":[0.00002425093,0.00003749678,0.001924471,0.00002344899,0.00007497401,0.00001342489,0.0006004753,0.00004148931,0.9958981,0.00003561126,0.0000232843,0.001303028],"study_design_scores_gemma":[0.0003433336,0.00008241012,0.001048773,0.00001091827,0.00008851688,0.0001900681,0.003509289,0.00002489364,0.9941768,0.0001557134,0.0002908052,0.00007850191],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992378,0.0001197026,0.0000265356,0.0001628881,0.00006329131,0.00004060029,0.00001092524,0.000004026117,0.0003342348],"genre_scores_gemma":[0.9997349,0.000001547154,0.00004905538,0.000003407488,0.0001406835,0.000003646369,0.000007960031,0.00001239099,0.00004638213],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002908814,"threshold_uncertainty_score":0.4236649,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01118533603139931,"score_gpt":0.2127374632064114,"score_spread":0.2015521271750121,"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."}}