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Journal of Chemical Theory and Computation|January 24, 2012
Directional Dependence of Hydrogen Bonds: a Density-based Energy Decomposition Analysis and Its Implications on Force Field DevelopmentZhenyu Lu, Nengjie Zhou, Qin Wu, et al.
The Journal of Chemical Physics|June 9, 2014
Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysisNengjie Zhou, Zhenyu Lu, Qin Wu, et al.
Journal of the American Chemical Society|June 24, 2010
A proton-shuttle reaction mechanism for histone deacetylase 8 and the catalytic role of metal ionsRuibo Wu, Shenglong Wang, Nengjie Zhou, et al.
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