Published in
Springer, Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 7(135), 2016
DOI: 10.1007/s00214-016-1920-y
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Density-functional-based tight-binding parameterization of Mo, C, H, O and Si for studying hydrogenation reactions on molybdenum carbide
Journal article published in 2016 by
Xingchen Liu 
,
Mohammad Wahiduzzaman,
Augusto F. Oliveira,
Thomas Heine,
Dennis R. Salahub
,
Mohammad Wahiduzzaman,
Augusto F. Oliveira,
Thomas Heine,
Dennis R. Salahub
This paper is made freely available by the publisher.
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