{"id":"W1970661795","doi":"10.1139/v07-137","title":"Theoretical study on NO<sub>3</sub>-initiated oxidation of acenaphthene in the atmosphere","year":2008,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Atmospheric chemistry and aerosols","field":"Earth and Planetary Sciences","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Natural Science Foundation of China","keywords":"Acenaphthene; Chemistry; Radical; Photochemistry; Atmosphere (unit); Yield (engineering); Degradation (telecommunications); Basis set; Computational chemistry; Organic chemistry; Density functional theory; Thermodynamics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000217065,0.0003782297,0.0005988303,0.0005803898,0.000769444,0.0003714387,0.0008766042,0.0005826067,0.005606825],"category_scores_gemma":[0.0003850163,0.0001798629,0.0005128483,0.0003727212,0.0005572171,0.0005020031,0.0003567262,0.0003117863,0.0003623755],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005661271,"about_ca_system_score_gemma":0.0008411246,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003892117,"about_ca_topic_score_gemma":0.003766865,"domain_scores_codex":[0.9998959,0.00002150925,0.000002426883,0.000007485228,0.00004161124,0.00003110421],"domain_scores_gemma":[0.999846,0.00007947964,0.00001768428,0.000014911,0.00003005677,0.00001193977],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001578942,0.0001468895,0.003028596,0.0007763215,0.00006731904,0.001215062,0.0001883858,0.7578434,0.01211316,0.2116638,0.001088698,0.01171051],"study_design_scores_gemma":[0.00003991992,0.00006797507,0.001500676,0.00002599304,0.00002287086,0.00009735837,0.0001005971,0.9692132,0.00164864,0.02632883,0.0009410653,0.00001277569],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8576017,0.002583017,0.05724908,0.001056073,0.0001306467,0.0000993343,0.0004612912,0.0001126208,0.08070617],"genre_scores_gemma":[0.990239,0.001067221,0.00493522,0.00008278128,0.00002823561,0.00006263216,0.0001147405,0.00002409569,0.003446032],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005606825,"threshold_uncertainty_score":0.01875669,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01588150095041461,"score_gpt":0.1998393002191794,"score_spread":0.1839577992687648,"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."}}