| 1 |
Molecular dynamics study of oxygen self-diffusion in reduced CeO2
Gotte A, Spangberg D, Hermansson K, Baudin M
Solid State Ionics, 178(25-26), 1421, 2007 |
| 2 |
Influence of substrate dynamics on CO-MgO(001) bonding-using molecular dynamics snapshots in quantum-chemical calculations
Herschend B, Baudin M, Hermansson K
Journal of Physical Chemistry B, 110(11), 5473, 2006 |
| 3 |
A combined molecular dynamics plus quantum mechanics method for investigation of dynamic effects on local surface structures
Herschend B, Baudin M, Hermansson K
Journal of Chemical Physics, 120(10), 4939, 2004 |
| 4 |
Atomic and electronic structure of unreduced and reduced CeO2 surfaces: A first-principles study
Yang ZX, Woo TK, Baudin M, Hermansson K
Journal of Chemical Physics, 120(16), 7741, 2004 |
| 5 |
MD simulations of a doped ceria surface - very large surface ion motion
Baudin M, Wojcik M, Hermansson K, Palmqvist AEC, Muhammed M
Chemical Physics Letters, 335(5-6), 517, 2001 |
| 6 |
Molecular dynamics simulations of an Al2O3(0001 +/-, 0-10(II))/CeO2 (011 +/-,01-1(II)) interface system
Baudin M, Wojcik M, Hermansson K
Thin Solid Films, 401(1-2), 159, 2001 |
| 7 |
Structure and electronic properties of Ca-doped CeO2 and implications on catalytic activity: An experimental and theoretical study
de Carolis S, Pascual JL, Pettersson LGM, Baudin M, Wojcik M, Hermansson K, Palmqvist AEC, Muhammed M
Journal of Physical Chemistry B, 103(36), 7627, 1999 |
| 8 |
A combined molecular dynamics ab initio study of H-2 adsorption on ideal, relaxed, and temperature-reconstructed MgO(111) surfaces
Hermansson K, Baudin M, Ensing B, Alfredsson M, Wojcik M
Journal of Chemical Physics, 109(17), 7515, 1998 |
