Potential energy surface of the reaction of imidazole with peroxynitrite: Density functional theory study

International Journal of Quantum Chemistry

Volumn 104, Issue 3, 2005, Pages 342-353

  Gogonea, Valentin ^a,b  

^a CLEVELAND STATE UNIVERSITY   (United States)

^b LERNER RESEARCH INSTITUTE   (United States)

Author keywords

Density functional theory; Guanine; Imidazole nitration; Nitric oxide; Peroxynitrite; Potential energy surface; Reaction mechanism; Superoxide ion

Indexed keywords

COVALENTLY BONDED; DENSITY FUNCTIONAL THEORY (DFT); HYDROGEN SUPEROXIDE ION; POTENTIAL ENERGY SURFACE (PES);

COMPUTATIONAL METHODS; DNA; HAMILTONIANS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PROTONS; REACTION KINETICS;

NITROGEN COMPOUNDS;

EID: 23844502015     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20603     Document Type: Article

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