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
Gemini 3 and 200+ AI Models on One Platform
Build generative AI apps with Vertex AI. Switch between models without switching platforms.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of Program Computing DDEC Atomic Charges!