Issue 45, 2008
From the journal:

Chemical Communications

Redefining the atom: atomic charge densities produced by an iterative stockholder approach

Timothy C. Lillestolena  and  Richard J. Wheatley*a  

* Corresponding authors

a School of Chemistry, University of Nottingham, University Park, Nottingham, UK
E-mail: Richard.Wheatley@nottingham.ac.uk

Abstract

A new, simple, computational technique allows molecular electron densities to be divided into atoms which have intuitively correct shapes and charges.

Graphical abstract: Redefining the atom: atomic charge densities produced by an iterative stockholder approach

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Article information

DOI
https://doi.org/10.1039/B812691G
Article type
Communication
Submitted
23 Jul 2008
Accepted
26 Aug 2008
First published
17 Sep 2008

Chem. Commun., 2008, 5909-5911

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Redefining the atom: atomic charge densities produced by an iterative stockholder approach

T. C. Lillestolen and R. J. Wheatley, Chem. Commun., 2008, 5909 DOI: 10.1039/B812691G

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