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The Journal of Chemical Physics
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Study of the structure of molecular complexes. X. Dipole moment surface for the lithium-fluoride-water complex

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Abstract

The dipole moment for 252 configurations of the Li-F-H2O complex has been computed using Hartree-Fock wavefunctions. The computed values are fitted with an analytical expression. The results clearly indicate that the water dipole moment, having the expected form of point charge-induced dipole moment, acts only as a relatively small perturbance on the dipole moment of the LiF ion pair. Copyright © 1975 American Institute of Physics.

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The Journal of Chemical Physics

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