Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxides

Journal of Computational Chemistry

Volumn 26, Issue 8, 2005, Pages 807-817

  Zhang, Jia Xu ^a   Liu, Jing Yao ^a   Li, Ze Sheng ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Methyl (CH3); Nitric dioxide (NOx); Potential energy surface (PES); Reaction mechanism; Theoretical calculations

Indexed keywords

COMBUSTION; COMPUTATIONAL METHODS; FREE RADICALS; HYDROGEN BONDS; INTERFACIAL ENERGY; ISOMERIZATION; ISOMERS; NITROGEN OXIDES; POTENTIAL ENERGY; REACTION KINETICS;

METHYL (CH3); NITRIC DIOXIDE (NOX); POTENTIAL ENERGY SURFACES (PES); THEORETICAL CALCULATIONS;

METHANE;

EID: 19944383863     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20217     Document Type: Article

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