TITLE

Ab initio characterization of the structure and energetics of the ArHF complex

AUTHOR(S)
van Mourik, Tanja; Dunning Jr., Thom H.
PUB. DATE
August 1997
SOURCE
Journal of Chemical Physics;8/15/1997, Vol. 107 Issue 7, p2451
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the structure and energetics of the ArHF complex using correlation consistent basis sets at several levels of theory. Moller-Plesset perturbation theory; Couple cluster techniques; Characterization of the stationary points on the counterpoise-corrected potential energy surface.
ACCESSION #
4321448

 

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