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Three body interaction, hydrogen bonds

M. Quack, J. Stohner, and M. A. Suhm, Analytical three body interaction potentials and hydrogen bond dynamics of hydrogen fluoride aggregates (HF)n, n>3.J. Mol. Struct. 599, 381 425 (2001). [Pg.45]

For finding optimal classical structures it is first rc( uircd to construct reliable potential energy surface for the system in the ground state. Usually, several approximations are employed. First, w e neglect three body interactions within rare gas atoms, and second we assume that the interaction between the hydrogen halide and the rare gas atom is within a certain range independent of the HX bond distance. The latter approximation is not necessarily always justified [9]. With these approximations we can write the PES of a HX-Rg cluster as a following sum... [Pg.469]

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Bond interactions

Bonded interactions

Bonding interactions

Hydrogen bond interactions

Hydrogen interactions

Three-body bonds

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