Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF2HCOOCH3 with OH radicals

Computational and Theoretical Chemistry

Volumn 1029, Issue , 2014, Pages 91-98

  Zhu, Peng ^a   Ai, Li ling ^a   Wang, Hui ^a   Liu, Jing yao ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Density functional theory; Direct dynamics method; Hydrogen abstraction; Rate constant; Variational transition state theory

Indexed keywords

EID: 84892449154     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.12.019     Document Type: Article

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