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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Theoretical Chemistr...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Theoretical Chemistry Accounts
Article . 1971 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
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Properties of atoms in molecules

III. Atomic charges and centers of electronic charge in some heteronuclear diatomic molecules
Authors: Peter Politzer;

Properties of atoms in molecules

Abstract

The electronic charges and the positions of the centers of these charges have been calculated for the atoms of a number of second- and third-row heteronuclear diatomic molecules. For both the oxygen and the fluorine atoms, the charge associated with one of these atoms can be correlated, within a series of molecules containing that atom, with both the orbital energy of the atom's ls electrons and also with the difference in electronegativities of the atoms that comprise the molecule. The centers of electronic charge are outside of the internuclear regions, except for the positive atoms in the more ionic molecules and in HF. The first two papers in this series have dealt with two different properties of atoms in molecules. In Part I, a method was presented for determining the quantity of electronic charge associated with an atom in a molecule [,1], while Part II was concerned with the calculation of the position of the center of this charge [-2]. The basis of the proposed procedure is the partitioning of the space of the molecule into regions "belonging" to the individual atoms [-1]. The electronic charge associated with a given atom A is then given by QA= ~ ~(r)dr A

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
39
Top 1%
Top 1%
Top 10%
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