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Limiting charge for electrostatic point sources

✍ Scribed by G�rtner, P. ;Heinz, U. ;M�ller, B. ;Greiner, W.

Publisher
Springer
Year
1981
Tongue
English
Weight
1004 KB
Volume
300
Category
Article
ISSN
1434-601X

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## Abstract The natural atomic orbital/point charge (NAO‐PC) model based upon the AM1 wave function has been developed to calculate molecular electrostatic potentials (MEPs). Up to nine point charges (including the core charge) are used to represent heavy atoms. The positions and magnitudes of the