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Results: 1-6 |
Results: 6

Authors: Lin, X Ramer, NJ Rappe, AM Hass, KC Schneider, WF Trout, BL
Citation: X. Lin et al., Effect of particle size on the adsorption of O and S atoms on Pt: A density-functional theory study, J PHYS CH B, 105(32), 2001, pp. 7739-7747

Authors: Grinberg, I Ramer, NJ Rappe, AM
Citation: I. Grinberg et al., Quantitative criteria for transferable pseudopotentials in density functional theory - art. no. 201102, PHYS REV B, 6320(20), 2001, pp. 1102

Authors: Grinberg, I Ramer, NJ Rappe, AM
Citation: I. Grinberg et al., Transferable relativistic Dirac-Slater pseudopotentials, PHYS REV B, 62(4), 2000, pp. 2311-2314

Authors: Ramer, NJ Rappe, AM
Citation: Nj. Ramer et Am. Rappe, Virtual-crystal approximation that works: Locating a compositional phase boundary in Pb(Zr1-xTix)O-3, PHYS REV B, 62(2), 2000, pp. R743-R746

Authors: Ramer, NJ Rappe, AM
Citation: Nj. Ramer et Am. Rappe, Application of a new virtual crystal approach for the study of disordered perovskites, J PHYS CH S, 61(2), 2000, pp. 315-320

Authors: Ramer, NJ Rappe, AM
Citation: Nj. Ramer et Am. Rappe, Designed nonlocal pseudopotentials for enhanced transferability, PHYS REV B, 59(19), 1999, pp. 12471-12478
Risultati: 1-6 |