# 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. | ||

+ | == References == | ||

@Article{gm78, | @Article{gm78, | ||

author = {J. Gasteiger and M. Marsili}, | author = {J. Gasteiger and M. Marsili}, |

## Revision as of 16:12, 18 February 2006

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

## 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}, }