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Article ID: 314 - Last Modified:

What are the units of the Electrostatic Potential (ESP) computed by Jaguar or QSite?

Beginning with Suite 2009 (QSite 5.5, Jaguar 7.6, Maestro 9.0), the default units of ESP are kcal/mol. In previous releases, the default units were hartrees.

Keywords: electrostatic, potential, esp, units, scale, isovalue

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