Density functional theory predicts the barriers for radical fragmentation in solution

Journal of Organic Chemistry

Volumn 70, Issue 6, 2005, Pages 2014-2020

  Lorance, Edward D ^a   Hendrickson, Kirstin ^a   Gould, Ian R ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; ELECTRONIC STRUCTURE; FREE ENERGY; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; SOLUTIONS;

ACTIVATION FREE ENERGIES; DENSITY FUNCTIONAL THEORY; N-METHOXYPYRIDYL RADICALS; RADICAL FRAGMENTATION;

FREE RADICALS;

HETEROCYCLIC COMPOUND; NITROGEN; OXYGEN;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; FRAGMENTATION REACTION; PREDICTION;

EID: 15444368302     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo040259q     Document Type: Article

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