Ab initio studies of isomerization and dissociation reactions of peroxyacetyl nitrate (PAN)

Chemical Physics

Volumn 312, Issue 1-3, 2005, Pages 241-259

  Wei, Wen Mei ^a   Tan, Wei ^a   Zheng, Ren Hui ^a   He, Tian Jing ^a   Chen, Dong Ming ^a   Liu, Fan Chen ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Ab initio; Dissociation; Isomerization; PAN

Indexed keywords

PEROXYACETYLNITRATE;

AB INITIO CALCULATION; ARTICLE; DECOMPOSITION; DISSOCIATION; ENERGY; ISOMERIZATION;

EID: 15744381904     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.12.007     Document Type: Article

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