✦ LIBER ✦

On the origin of three-body potentials in clusters of polar molecules and ions

✍ Scribed by A. Beyer; A. Karpfen; P. Schuster

Publisher: Elsevier Science
Year: 1979
Tongue: English
Weight: 328 KB
Volume: 67
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(79)85180-5

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✦ Synopsis

SCF-energy partitioning for three ternary intermolecular complexes, (HF)3, Li*(OH2)2 and F-(H2 0)2, has been performed in order to obtain more information on the nature of the non-additivities in the energies of complexes. It is found that polarization forces dominate the three-body energies in these polar aggregates.

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