Difference between revisions of "Gasteiger-Marsili"

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(PEOE abbreviation added)
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The Partial Equalization of Orbital Electronegativities (PEOE) algorithm uses an iteractive algorithm to calculate partial charges.
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The Partial Equalization of Orbital Electronegativities (PEOE) algorithm uses an iteractive algorithm to calculate partial charges ([[Article:gm78]]).
== References ==
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@Article{gm78,
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  author = {J. Gasteiger and M. Marsili},
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  title = {{A} {N}ew {M}odel for {C}alculating {A}tomic {C}harges in {M}olecules},
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  journal = {Tetrahedron Lett.},
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  year = {1978},
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  volume = {34},
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  pages = {3181-3184},
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}
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Revision as of 11:49, 4 March 2006

The Partial Equalization of Orbital Electronegativities (PEOE) algorithm uses an iteractive algorithm to calculate partial charges (Article:gm78).