DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane

Chemical Physics Letters

Volumn 417, Issue 1-3, 2006, Pages 256-260

  Lee, E P F ^a,b   Dyke, J M ^b   Chow, W K ^a   Chau, F T ^a   Mok, D K W ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ENTHALPY; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

2-H HEPTAFLUOROPROPANE; FIRE SUPPRESSANTS; INTEGRATED MOLECULAR ORBITAL + MOLECULAR ORBITAL (IMOMO); REACTION ENTHALPY;

FLUORINE COMPOUNDS;

EID: 29144440860     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.10.013     Document Type: Article

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