Ab initio studies of weakly bound complexes between some nonpolar molecules and hydrogen fluoride
- 1 May 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (9) , 5733-5737
- https://doi.org/10.1063/1.445454
Abstract
The complexes formed by nonpolar molecules and HF are studied with 6‐31G, 6‐31G*, and 6‐31G** Gaussian basis sets. Geometries and binding energies are determined and an estimation of the correlation effects is provided using the Moller–Plesset perturbation theory (MP2). The binding energy dependence on the polarizability of the nonpolar molecules is discussed.Keywords
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