Difference between revisions of "Gasteiger-Marsili"

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).

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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]]).
-== References ==
- @Article{gm78,
-  author = {J. Gasteiger and M. Marsili},
-  title = {{A} {N}ew {M}odel for {C}alculating {A}tomic {C}harges in {M}olecules},
-  journal = {Tetrahedron Lett.},
-  year = {1978},
-  volume = {34},
-  pages = {3181-3184},
- }