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Ab initio studies reveal binding energy relationships in nonpolar molecules with hydrogen fluoride, suggesting polarizability influences stability.
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.
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A. M. Sapse (1983) studied this question.
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