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Molecular Dynamics Simulations and Intermolecular Forces

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Intermolecular Forces and Clusters I

Part of the book series: Structure and Bonding ((STRUCTURE,volume 115))

Abstract

In this chapter, the main computational methods presently used in molecular modelling to compute the energy of an assembly of molecules and to perform a molecular dynamics simulation will be presented. Then, recent molecular dynamics and quantum chemical results for hydrated halide ions and silicon clusters will be reviewed.

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  1. Equipe de Chimie et Biochimie Theoriques, UMR CNRS-UHP 7565, Université Henri Poincaré - Nancy 1, Faculté des Sciences et Techniques, Boulevard des Aiguillettes, BP 239, 54506, Vandoeuvre-lès-Nancy Cedex, France

    Claude Millot

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  1. Claude Millot
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Correspondence to Claude Millot .

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D. J. Wales

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Millot, C. Molecular Dynamics Simulations and Intermolecular Forces. In: Wales, D.J. (eds) Intermolecular Forces and Clusters I. Structure and Bonding, vol 115. Springer, Berlin, Heidelberg. https://doi.org/10.1007/b135964

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