Gibbs energies of reactive species involved in peroxynitrite chemistry calculated by density functional theory

Journal of Molecular Structure: THEOCHEM

Volumn 623, Issue 1-3, 2003, Pages 95-103

  Pfeiffer, Silvia ^a   Mayer, Bernd ^a   Janoschek, Rudolf ^a  

^a UNIVERSITY OF GRAZ   (Austria)

Author keywords

Density functional theory; Gibbs energy; Homolysis

Indexed keywords

NITRIC ACID; NITROUS ACID; PEROXYNITRITE; SOLVENT; WATER;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; ENTHALPY; HYDROGEN BOND; IONIZATION; QUANTUM CHEMISTRY; QUANTUM THEORY; THEORY; THERMODYNAMICS;

EID: 0037418649     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00674-7     Document Type: Article

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