TITLE

The vibrational spectrum of H[sub 2]O[sup +, sub 2] radical cation: An illustration of symmetry

AUTHOR(S)
Hrusak, Jan; Iwata, Suehiro
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p4877
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates the H[sub 2]O[sub 2][sup +] with ab initio MO methods using the single reference and multiconfiguration based wave functions. Effect of the choice of the reference wave function on the shape of the potential energy surfaces near the equilibrium geometry; Evaluation of the force constants for the asymmetrical vibrations.
ACCESSION #
4180977

 

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