Hydrogen bonding in clusters and molecul
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A. Karpfen; A. Beyer; P. Schuster
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Article
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1981
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John Wiley and Sons
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English
β 269 KB
## Abstract __Ab initio__ calculations on the HartreeβFock level are used to study the effects of cooperativity in ternary complexes and in infinite chains on the example of hydrogen fluoride. SCF energy partitioning demonstrates that polarization forces dominate threeβbody energies in these aggreg