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Perfil en el portal institucional

Pascual Robledo, Jose Luis joseluis.pascual@uam.es

Química física aplicada / Universidad Autónoma de Madrid

Actividades

Theoretical study of ultraviolet photoelectron spectra of carbonyl systems: CO, and CO/Cu(100)

  • Pascual J
  • Pettersson L
  • Ågren H

Physical Review b (p. 7716-7725) - 1/1/1997

10.1103/physrevb.56.7716 Ver en origen

  • ISSN 01631829

Structure and electronic properties of Ca-Doped CeO2 and implications on catalytic activity: An experimental and theoretical study

  • De Carolis S
  • Pascual J
  • Pettersson L
  • Baudin M
  • Wójcik M
  • Hermansson K
  • Palmqvist A
  • Muhammed M
... Ver más Contraer

J Phys Chem b (p. 7627-7636) - 9/9/1999

  • ISSN 10895647
  • iMarina

Structural effects and 4f-5d transition shifts induced by la codoping in Ce-doped yttrium aluminum garnet: First-principles study

  • Muñoz-García A
  • Pascual J
  • Barandiarán Z
  • Seijo L

Physical Review b - 27/8/2010

10.1103/physrevb.82.064114 Ver en origen

  • ISSN 01631829

Relation between high-pressure spectroscopy and fn-1 d1 excited-state geometry: A comparison between theoretical and experimental results in Sr F2: Sm2+

  • Pascual J
  • Barandiarán Z
  • Seijo L

Physical Review b - 20/9/2007

10.1103/physrevb.76.104109 Ver en origen

  • ISSN 01631829

On the nature of the ground state of Cr(V) defects in YVO4: An ab initio model potential embedded-cluster study

  • Pascual J
  • Barandiarán Z
  • Seijo L

International Journal Of Quantum Chemistry (p. 751-758) - 1/1/2002

10.1002/qua.925 Ver en origen

  • ISSN 1097461X

On the electronic absorption spectrum of Cr4+in Rb2CrF6

  • Pascual J

Journal Of Chemical Physics (p. 11129-11130) - 1/12/1998

10.1063/1.477751 Ver en origen

  • ISSN 00219606

Large anomalies due to insufficiency of Madelung embedding in ab initio calculations of 4f-5d and 4f-6s excitations of lanthanides in ionic crystals: The Ba F2: Ce3+ crystal

  • Pascual JL
  • Schamps J
  • Barandiarán Z
  • Seijo L

Physical Review b - 18/9/2006

10.1103/physrevb.74.104105 Ver en origen

  • ISSN 01631829

Improved embedding Ab initio model potentials for embedded cluster calculations

  • Pascual J
  • Barros N
  • Barandiarán Z
  • Seijo L

Journal Of Physical Chemistry a (p. 12454-12460) - 12/11/2009

10.1021/jp9030199 Ver en origen

  • ISSN 15205215

Electrostatic potential from embedded clusters

  • Pascual, JL
  • Pettersson, LGM;

Chemical Physics Letters (p. 351-356) - 23/5/1997

10.1016/s0009-2614(97)00378-3 Ver en origen

  • ISSN 00092614

Electronic structure and optical spectra of Au− ions in RbCl

  • Pascual, JL

Journal Of Luminescence - 1/1/2024

10.1016/j.jlumin.2023.120207 Ver en origen

  • ISSN 00222313

Este/a investigador/a no tiene libros.

Theoretical modelling of chemisorption and reaction on metal-oxide surfaces

  • Pettersson, L
  • Nyberg, M
  • Pascual, JL
  • Nygren, M

(p. 425-454) - 1/1/1997

  • iMarina

Theoretical study of the effects of F to Cl substitution on the electronic structre and the luminescence properties of Cs2GeF6:Os4+ and Cs2ZrCl6:Os4+ materials.

  • Pascual J
  • Barandiarán Z
  • Seijo L

Journal Of Chemical Physics - 19/7/2006

10.1063/1.2180772 Ver en origen

  • ISSN 00219606

The electronic structure of dopants in ionic solids - Ab initio model potential studies on transition metals and lanthanides

  • Pascual Robledo, Jose Luis

17/6/2009

  • iMarina

Estudio de la estructura geométrica y el espectro electrónico de Co2+:KZnF3.

  • Pascual Robledo, Jose Luis

1/1/2001

  • iMarina

Embedding Ab initio model potentials for embedded cluster calculations on ionic solids

  • Pascual Robledo, Jose Luis

4/12/2009

  • iMarina

Ab Initio theoretical study of the 4f8 and 4f75d manifolds of Tb3+-doped BaF2 cubic sites

  • Pascual J., Barandiarán Z., Seijo L.

Journal Of Luminescence (p. 808-817) - 14/5/2014

10.1016/j.jlumin.2013.08.066 Ver en origen

  • ISSN 00222313

Ab Initio theoretical study of the 4f8 and 4f75d electronic manifolds of Tb3+-doped fluorides

  • Pascual Robledo, Jose Luis

17/7/2014

  • iMarina

Este/a investigador/a no tiene documentos de trabajo.

Este/a investigador/a no tiene informes técnicos.

Defectos en cristales iónicos. Cálculos ab initio

  • Seijo Loche, Luis Ignacio (Investigador principal (IP))
  • Pascual Robledo, Jose Luis (Investigador/a)

Ejecución: 01-01-1997 - 31-12-1999

  • iMarina

Este/a investigador/a no tiene tesis dirigidas.

Este/a investigador/a no tiene patentes o licencias de software.

Última actualización de los datos: 19/03/24 0:07