Self-Consistent Charge Density-Functional Tight-Binding...

Journal of Physical Chemistry A 2017 / 03 Vol. 121; Iss. 12

Self-Consistent Charge Density-Functional Tight-Binding Parametrization for Pt–Ru Alloys

Shi, Hongbo, Koskinen, Pekka, Ramasubramaniam, Ashwin
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Volume:
121
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.7b00701
Date:
March, 2017
File:
PDF, 1.31 MB
english, 2017
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