Theoretical investigation of the gas-phase reactions of CF 2ClC(O)OCH3 with the hydroxyl radical and the chlorine atom at 298 K

Journal of Molecular Modeling

Volumn 19, Issue 8, 2013, Pages 3263-3270

  Mishra, Bhupesh Kumar ^a   Chakrabartty, Arup Kumar ^a   Deka, Ramesh Chandra ^a  

^a TEZPUR UNIVERSITY   (India)

Author keywords

Bond dissociation energy; Chloro fluoroesters; Isodesmic reactions; Rate constant

Indexed keywords

CHLORINE; HYDROXYL RADICAL;

ARTICLE; ATMOSPHERIC PRESSURE; ATOM; CHEMICAL REACTION; DISSOCIATION; ENTHALPY; GAS; PARTITION COEFFICIENT; PRIORITY JOURNAL; SURFACE PROPERTY; THEORETICAL STUDY;

EID: 84880764081     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1865-1     Document Type: Article

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