Intermolecular Forces and Clusters II

Intermolecular Forces and Clusters II

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This book presents - H2O on NaCl - From Single Molecule, to Clusters, to Monolayer, to Thin Film, to Deliquescence; N-Body Decomposition Approach to the Calculation of Interaction Energies of Water Clusters; Intermolecular Interactions Via Pertubation TheBSSE arises from the 2-body interaction terms, and that this is much less of a problem for the 3- and 4-body interaction energies. We have recently used the NBD-3 approach to carry out Monte Carlo simulations of (H20)6- Although the basis sets used in that ... Burnham CJ, Xantheas SS (2002) J Chem Phys 116: 1500 6.

Title:Intermolecular Forces and Clusters II
Author:D. Wales
Publisher:Springer Science & Business Media - 2005-12-20


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