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Nature and importance of three-body interactions in the (H2O)2HCl trimer

✍ Scribed by Anne Milet; Cezary Struniewicz; Robert Moszynski; Paul E. S. Wormer

Publisher
Springer
Year
2000
Tongue
English
Weight
88 KB
Volume
104
Category
Article
ISSN
1432-2234

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✍ Charles W. Bauschlicher Jr. πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 457 KB

Using very large basis sets, which can accurately describe the polarizability of Ni and Hz0 and the dipole moment of H,O, the dipole-induced-dipole interaction is shown to be more than 50% of the about 4.8 kcaVmole bonding. Dispersion is found to account for the remainder of the bonding; this is sig