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Cluster-molecule systems: Analysis and tuning of the interaction potential

✍ Scribed by J. Jellinek; Z. B. Güvenç

Publisher
Springer
Year
1993
Tongue
English
Weight
603 KB
Volume
26
Category
Article
ISSN
1434-6060

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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 the