Publications

Showing entries 281 - 284 out of 284

2000

Jomard G, Petit T, Magaud L, Pasturel A, Kresse G, Hafner J. Oxygen adsorption on Zr(0001): An ab initio study. Molecular Simulation. 2000;24(1-3):111-129. doi: 10.1080/08927020008024191
Lindbaum A, Heathman S, Kresse G, Rotter M, Gratz E, Schneidewind A et al. Structural stability of LaCu2 and YCu2 studied by high-pressure x-ray diffraction and ab initio total energy calculations. Journal of Physics: Condensed Matter. 2000;12(14):3219-3228. doi: 10.1088/0953-8984/12/14/301
Alfe D, Kresse G, Gillan MJ. Structure and dynamics of liquid iron under Earth's core conditions. Physical Review B. 2000;61(1):132-142. doi: 10.1103/PhysRevB.61.132
Raybaud P, Hafner J, Kresse G, Kasztelan S, Toulhoat H. Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study. Journal of Catalysis. 2000;190(1):128-143. doi: 10.1006/jcat.1999.2743
Showing entries 281 - 284 out of 284