Ab initio study on the mechanism of the reactions of the nitrate radical with haloalkenes: 1,2-dichloroethene, 1,1-dichloroethene, trichloroethene, and tetrachloroethene

Journal of Physical Chemistry A

Volumn 104, Issue 48, 2000, Pages 11340-11346

  Pérez Casany, M Pilar ^a   Nebot Gil, Ignacio ^a   Sánchez Marín, José ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON; CHEMICAL BONDS; FREE RADICALS; MOLECULAR ORIENTATION; NITROGEN COMPOUNDS; OLEFINS; PHASE EQUILIBRIA; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

CARBONYL COMPOUNDS; DENSITY FUNCTIONAL THEORY; DICHLOROETHENE; EPOXIDE; HALOALKENES; NITRATE RADICAL; POTENTIAL ENERGY SURFACE; REACTION PATHWAY; TETRACHLOROETHENE; TRICHLOROETHENE;

REACTION KINETICS;

EID: 0343773906     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001046h     Document Type: Article

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