program computing ddec atomic charges

We have hosted the application program computing ddec atomic charges in order to run this application in our online workstations with Wine or directly.

Quick description about program computing ddec atomic charges:

This program computes Density Derived Electrostatic and Chemical (DDEC) net atomic charges and atomic multipoles for periodic and nonperiodic systems. These chemically meaningful net atomic charges approximately reproduce the electrostatic potential.



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