Contains the keyword wave basis-set
Surface and Particle-Size Effects on Hydrogen Desorption from Catalyst-Doped MgH2. J Phys Chem C. 2012;116:20315-20. Abstract
Three Alkali-Metal-Gold-Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations. Inorg Chem. 2012;51:7711-21. Abstract
Hydrogen Desorption from Ti-Doped MgH2(110) Surfaces: Catalytic Effect on Reaction Pathways and Kinetic Barriers. J Phys Chem C. 2012;116:7874-8. Abstract
A Comprehensive Search for Stable Pt-Pd Nanoalloy Configurations and Their Use as Tunable Catalysts. Nano Lett. 2012;12:4875-80. Abstract
Quantitative Advances in the Zintl-Klemm Formalism. In: Fassler TF, editor. Zintl Phases: Principles and Recent Developments. Vol 139. Berlin: Springer-Verlag Berlin; 2011. p. 1-55. (Struct Bond; vol 139). Abstract
Short- and medium-range order in Zr80Pt20 liquids. Phys Rev BPhys Rev B. 2011;83:184109. Abstract
Ternary tetradymite compounds as topological insulators. Phys Rev B. 2011;83:241309. Abstract
Magnetostriction, elasticity, and D0(3) phase stability in Fe-Ga and Fe-Ga-Ge alloys. J Appl Phys. 2011;109:07a904. Abstract
Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles. Phys Rev BPhys Rev B. 2011;83:224203. Abstract
Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La(5-x)Y(x)Si(4) (0 <= x <= 5). Inorg Chem. 2011;50:12714-23. Abstract
