Evaluation of DFT methods to calculate structure and...

Evaluation of DFT methods to calculate structure and partial atomic charges for zeolite N

Khosravi, Monireh, Murthy, Vinuthaa, Mackinnon, Ian D.R.
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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
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