Document Type

Article

Publication Date

2017

Publication Title

European Journal of Physics

Abstract

In molecular systems, positive and negative charges are separated, making them ideal systems to examine electrostatic interactions. The attractive force between positive and negative charges is balanced by repulsive ‘forces’ that are quantum-mechanical in origin. We introduce an ‘effective’ potential energy that captures the repulsion; it allows us to obtain fairly accurate estimates of the bonding properties of molecular systems. We use units (e.g., kcal mol–1 for energy) that emphasize the relevance of electrostatics to macroscopic behavior.

DOI

10.1088/0143-0807/38/1/015206

Version

Publisher's PDF

Volume

38

Issue

1

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