TITLE

Intramolecular excitations in the H[sub 2]O..CO complex studied by diffusion Monte Carlo and ab

AUTHOR(S)
Sandler, P.; Sadlej, J.
PUB. DATE
October 1997
SOURCE
Journal of Chemical Physics;10/1/1997, Vol. 107 Issue 13, p5022
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on intramolecular excitation frequencies or frequency shifts in molecular complexes. Formation of a weak bond; Changes in molecular vibration frequencies due to coupling between inter- and intramolecular degrees of freedom; Treatment of all degrees of freedom in full microscopic detail; Effect of large-amplitude intermolecular motion on the shifts.
ACCESSION #
4247325

 

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