P

PyNCI

Project information

Python module for NCI (non-covalent interactions) index analysis* of electronic densities.

*E. Johnson, S. Keinan, P. Mori-Sanchez, J. Contreras-Garcia, A. Cohen, and W. Yang, J. Am. Chem. Soc. 132, 6498 (2010).

Created on

August 20, 2020

Loading