TITLE

Structure and stability of the nitric acid-ammonia complex in the gas phase and in water

AUTHOR(S)
Minh-Tuan Nguyen; Jamka, Alan J.; Cazar, Robert A.; Fu-Ming Tao
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8710
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates the nitric acid-ammonia system using high level ab initio calculations. Basis set used in calculating the equilibrium structure, vibrational frequencies and binding energy of the system in the gas phase; Potential energy surface along the proton transfer pathway; Hydrogen bond contained in the equilibrium structure.
ACCESSION #
4283794

 

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