Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2016 / 7 Vol. 135; Iss. 7
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Density-functional-based tight-binding parameterization of Mo, C, H, O and Si for studying hydrogenation reactions on molybdenum carbide
Liu, Xingchen, Wahiduzzaman, Mohammad, Oliveira, Augusto F., Heine, Thomas, Salahub, Dennis R.Volume:
135
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-016-1920-y
Date:
July, 2016
File:
PDF, 3.36 MB
english, 2016