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Oxygen Vacancies of Anatase 101: Extreme Sensitivity to the Density Functional Theory Method
Ha, Mai-Anh, Alexandrova, Anastassia N.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00095
Date:
May, 2016
File:
PDF, 5.86 MB
english, 2016