On the mechanism of HOONO to HONO2 conversion

Nitric Oxide - Biology and Chemistry

Volumn 1, Issue 6, 1997, Pages 494-501

  Jursic, Branko S ^a   Klasinc, Leo ^b   Pecur, Snjezana ^b   Pryor, William A ^c  

^a UNIVERSITY OF NEW ORLEANS   (United States)

^b RUDER BO KOVI INSTITUTE   (Croatia)

^c LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

Density functional theory; Gasphase conversion; Nitric acid; Optimization of transition states; Peroxinitrous acid; Quantum chemical calculations; Reaction mechanisms; Solvation effects

Indexed keywords

NITRATE; NITRIC ACID; PEROXYNITRITE; NITROUS ACID; PEROXYNITROUS ACID; WATER;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL REACTION; ENERGY; PHASE TRANSITION; PRIORITY JOURNAL; QUANTUM CHEMISTRY; REACTION ANALYSIS; THEORY; ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER; METABOLISM; THERMODYNAMICS;

ALGORITHMS; COMPUTERS; MODELS, MOLECULAR; NITRIC ACID; NITROUS ACID; PEROXYNITROUS ACID; THERMODYNAMICS; WATER;

EID: 0031417728     PISSN: 10898603     EISSN: None     Source Type: Journal    
DOI: 10.1006/niox.1997.0154     Document Type: Article

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