Evaluation of DFT methods to calculate structure and partial atomic charges for zeolite N
Khosravi, Monireh, Murthy, Vinuthaa, Mackinnon, Ian D.R.Volume:
171
Language:
english
Journal:
Computational Materials Science
DOI:
10.1016/j.commatsci.2019.109225
Date:
January, 2020
File:
PDF, 1.65 MB
english, 2020