Modeling the Organic Nitrate Yields in the Reaction of Alkyl Peroxy Radicals with Nitric Oxide. 1. Electronic Structure Calculations and Thermochemistry

Journal of Physical Chemistry A

Volumn 107, Issue 38, 2003, Pages 7429-7433

  Lohr, Lawrence L ^a   Barker, John R ^a   Shroll, Robert M ^a,b  

^a UNIVERSITY OF MICHIGAN   (United States)

^b SPECTRAL SCIENCES INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; FREE RADICALS; ISOMERIZATION; NITRATES; OZONE; POTENTIAL ENERGY; REACTION KINETICS;

THERMOCHEMISTRY;

MOLECULAR DYNAMICS;

EID: 0141959759     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034637r     Document Type: Article

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