Polarizabilities of intermediate sized lithium clusters from density-functional theory. - Rajendra R. Zope; Tunna Baruah; Mark R. Pederson (J. Comput. Methods Sci. Eng., 2007)

Magnetic Signatures of Hydroxyl- and Water-Terminated Neutral and Tetra-Anionic Mn12-Acetate. - Javaria Batool; Torsten Hahn; Mark R. Pederson (J. Comput. Chem., 2019)