A flexible-molecule force field to model and study hexanitrohexaazaisowurtzitane (CL-20) – polymorphism under extreme conditions
Abstract
The quantum-chemistry based force field developed by Smith and Bharadwaj is transferred to hexanitrohexaazaisowurtzitane (CL20), revealing pressure-induced alterations of ε-CL20.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2019
- Source ID
- 10.1039/c9ra07645j
Entities
People
- Santanu Chaudhuri
- Xavier Bidault
Organizations
- Air Force Office of Scientific Research
- United States Army
- University of Illinois at Chicago