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.
Follow Program Computing DDEC Atomic Charges
Other Useful Business Software
$300 Free Credits to Build on Google Cloud
Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of Program Computing DDEC Atomic Charges!