Difference between revisions of "Gasteiger-Marsili"
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− | The Partial Equalization of Orbital Electronegativities (PEOE) algorithm uses an iteractive algorithm to calculate partial charges | + | The Partial Equalization of Orbital Electronegativities (PEOE) algorithm uses an iteractive algorithm to calculate partial charges ([[Article:gm78]]). |
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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).