| 1 |
Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations
Pascual JL, Barros N, Barandiaran Z, Seijo L
Journal of Physical Chemistry A, 113(45), 12454, 2009 |
| 2 |
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 |
| 3 |
On the electronic absorption spectrum of Cr4+ in Rb2CrF6
Pascual JL
Journal of Chemical Physics, 109(24), 11129, 1998 |
| 4 |
Ab-Initio Model Potential Embedded-Cluster Calculations Including Lattice-Relaxation and Polarization - Local Distortions on Mn2+-Doped CaF2
Pascual JL, Seijo L
Journal of Chemical Physics, 102(13), 5368, 1995 |
| 5 |
Ab-Initio Model Potential Embedded-Cluster Study of V2+-Doped Fluoroperovskites - Effects of Different Hosts on the Local Distortion and Electronic-Structure of T-4(2G)-(4)A(2G) Laser Levels
Lopezmoraza S, Pascual JL, Barandiaran Z
Journal of Chemical Physics, 103(6), 2117, 1995 |
| 6 |
Ab-Initio Model Potential Study of the Optical-Absorption Spectrum of Mn2+-Doped CaF2
Pascual JL, Seijo L, Barandiaran Z
Journal of Chemical Physics, 103(12), 4841, 1995 |
