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American Chemical Society, The Journal of Physical Chemistry A, 14(108), p. 2794-2801, 2004

DOI: 10.1021/jp037627z

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Universal Features of the Topological Bond Properties of the Electron Density

This paper is available in a repository.
This paper is available in a repository.

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Abstract

Every pair of atoms can be bonded together showing a variety of different bonding regimes, the internuclear distance being the controlling parameter that decides under which chemical pattern a given pair will act. The type of bond that best describes a given compound is thus a consequence of the equilibrium distances on its main atomic pairs. Therefore, we should act cautiously in extrapolating the typical molecular regime to material science, particularly when high pressures or far from room temperatures are involved.