A high level theoretical investigation of the cyclic hydrogen fluoride trimer

Tschumper, Gregory S.; Yamaguchi, Yukio
June 1997
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9627
Academic Journal
Examines the results of the ab initio theoretical investigation of the cyclic hydrogen fluoride trimer. Optimization of the structure of the hydrogen fluoride monomer, dimer and trimer at the coupled-cluster level of theory; Geometrical parameters reported for each equilibrium structure.


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