| 1 |
Adsorption of the astatine species on a gold surface: A relativistic density functional theory study
Demidov Y, Zaitsevskii A
Chemical Physics Letters, 691, 126, 2018 |
| 2 |
Electronic properties of GaxIn1-xP from pseudopotential calculations
Bouarissa N
Materials Chemistry and Physics, 124(1), 336, 2010 |
| 3 |
A comparative study of the atomic transport properties of liquid alkaline metals using scaling laws
Korkmaz S, Yazar UUN, Korkmaz SD
Fluid Phase Equilibria, 249(1-2), 159, 2006 |
| 4 |
Elastic constants and acoustical phonon properties of GaAsxSb1-x
Bouarissa N
Materials Chemistry and Physics, 100(1), 41, 2006 |
| 5 |
Lowest energy structures and electronic properties of small molybdenum clusters
Koteski V, Cekic B, Novakovic N, Belosevic-Cavor J
Materials Science Forum, 494, 79, 2005 |
| 6 |
Ab initio study of the H-2-H2S/MoS2 gas-solid interface: The nature of the catalytically active sites
Raybaud P, Hafner J, Kresse G, Kasztelan S, Toulhoat H
Journal of Catalysis, 189(1), 129, 2000 |
| 7 |
Structure, energetics, and electronic properties of the surface of a promoted MoS2 catalyst: An ab initio local density functional study
Raybaud P, Hafner J, Kresse G, Kasztelan S, Toulhoat H
Journal of Catalysis, 190(1), 128, 2000 |
| 8 |
Ammonia synthesis at low temperatures
Rod TH, Logadottir A, Norskov JK
Journal of Chemical Physics, 112(12), 5343, 2000 |
| 9 |
Convergence of Breit-Pauli spin-orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br
Nicklass A, Peterson KA, Berning A, Werner HJ, Knowles PJ
Journal of Chemical Physics, 112(13), 5624, 2000 |
| 10 |
Electronic structure calculation of the structures and energies of the three pure polymorphic forms of crystalline HMX
Lewis JP, Sewell TD, Evans RB, Voth GA
Journal of Physical Chemistry B, 104(5), 1009, 2000 |
