Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: propene

Journal of Physical Chemistry A

Volumn 104, Issue 26, 2000, Pages 6277-6286

  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

ACTIVATION ENERGY; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; FREE RADICALS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NITRATES; OLEFINS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; PROPYLENE; VAN DER WAALS FORCES;

ADIABATIC CONNECTION METHOD; NITRATE RADICAL; POTENTIAL ENERGY HYPERSURFACE;

RATE CONSTANTS;

EID: 0343655391     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0001034     Document Type: Article

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