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Valence Shell Electron Repulsion simulator

By Baudilio Tejerina

Northwestern University

This tool calculates the distribution of N particles subject a Coulombic potential on the surface of a sphere.

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.0.1
Published on 09 Dec 2009
Latest version: 1.1.1. All versions

doi:10.4231/D34J09X16 cite this

This tool is closed source.

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Abstract

Suppose we randomly set N particles on the surface of a sphere. If the energy of interaction (V) between two particles (i, j) is Coulombic ( i.e., V= 1/Rij, where Rij is the distance between the particles), what is the configuration (arrangement of the particles on the surface) with lowest energy? This tools is intended to calculate and study this sort of problems.

We can regard this problem as generalized version of the VSEPR model which justifies the molecular structure of simple systems by the distribution of the pairs of electrons in space of a central atom.

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