Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride Solids

Published 2015 View Full Article

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Title
Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride Solids
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 11, Pages 5426-5435
Publisher
American Chemical Society (ACS)
Online
2015-10-14
DOI
10.1021/acs.jctc.5b00653

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