- Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways.
K. Mathew, R. Sundararaman, K. Letchworth-Weaver, T. A. Arias, and R. G. Hennig.
J. Chem. Phys. 140, 084106 (2014). [web] - Accuracy of Exchange-Correlation Functionals and Effect of Solvation on the Surface Energy of Copper.
M. Fishman, H. L. Zhuang, K. Mathew, W. Dirschka, and R. G. Hennig.
Phys. Rev. B 87, 245402 (2013). [web]
© 2014 Richard Hennig