All Stories

  1. Atomic charges for modeling metal–organic frameworks: Why and how

    Article • Journal of Solid State Chemistry, March 2015, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  2. Thermostructural behaviour of Ni–Cr materials: modelling of bulk and nanoparticle systems

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador

  3. Aluminium distribution in ZSM-5 revisited: The role of Al–Al interactions

    Article • Journal of Solid State Chemistry, February 2013, Elsevier

    Dr Ricardo Grau-Crespo, Dr A. Rabdel Ruiz-Salvador

  4. Surprising role of the BDC organic ligand in the adsorption of CO2 by MOF-5

    Article • Microporous and Mesoporous Materials, November 2012, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  5. Mg/Ca Partitioning Between Aqueous Solution and Aragonite Mineral: A Molecular Dynamics Study

    Article • Chemistry - A European Journal, June 2012, Wiley

    Dr Ricardo Grau-Crespo, Dr A. Rabdel Ruiz-Salvador

  6. Location of extra-framework Co2+, Ni2+, Cu2+ and Zn2+ cations in natural and dealuminated clinoptilolite

    Article • Microporous and Mesoporous Materials, June 2012, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  7. Chemical insertion in the perovskite solid solutions Pr0.5+x−yLi0.5−3xBiy□2xTiO3: Implications on the electrical properties

    Article • Materials Science and Engineering B, May 2012, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  8. ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador

  9. Step-wise dealumination of natural clinoptilolite: Structural and physicochemical characterization

    Article • Microporous and Mesoporous Materials, November 2010, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  10. Locating Extra-Framework Cations in Low-Silica Zeolites by a Combinatorial Approach of the Direct Space Method and Rietveld Refinement: Application to Ni 2+ and Co 2+ Enriched Clinoptilolite

    Article • The Journal of Physical Chemistry C, April 2010, American Chemical Society (ACS)

    Dr A. Rabdel Ruiz-Salvador

  11. Thermochemistry of strontium incorporation in aragonite from atomistic simulations

    Article • Geochimica et Cosmochimica Acta, February 2010, Elsevier

    Dr Ricardo Grau-Crespo, Dr A. Rabdel Ruiz-Salvador

  12. Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ε-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador

  13. Preparation of natural zeolitic supports for potential biomedical applications

    Article • Materials Chemistry and Physics, December 2009, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  14. Zeolitic Polyoxometalate-Based Metal−Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1

    Article • Journal of the American Chemical Society, November 2009, American Chemical Society (ACS)

    Dr A. Rabdel Ruiz-Salvador

  15. Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues

    Article • CrystEngComm, January 2009, Royal Society of Chemistry

    Dr Ben Slater, Dr A. Rabdel Ruiz-Salvador

  16. Separation of electronic and ionic conductivity in mixed conductors from the ac response: Application to Pr0.56Bi0.04Li0.2TiO3

    Article • Applied Physics Letters, July 2008, American Institute of Physics

    Dr A. Rabdel Ruiz-Salvador

  17. Interplay of water, extra-framework cations and framework atoms in the structure of low-silicazeolites: the case of the natural zeolite Goosecreekite as studied by computer simulation

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador

  18. Approaching the structure of heavily defective ionic oxides through atomistic modeling

    Article • physica status solidi c, August 2005, Wiley

    Dr A. Rabdel Ruiz-Salvador

  19. Pressure-Induced Hydration Effects in the Zeolite Laumontite

    Article • Angewandte Chemie, January 2004, Wiley

    Dr A. Rabdel Ruiz-Salvador

  20. Pressure-Induced Hydration Effects in the Zeolite Laumontite

    Article • Angewandte Chemie International Edition, January 2004, Wiley

    Dr A. Rabdel Ruiz-Salvador

  21. Si atoms in SAPO-31: A computational study

    Article • January 2004, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  22. Effect of hydration levels and pressure on zeolite structure

    Article • January 2004, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  23. An Elementary Picture of Dielectric Spectroscopy in Solids: Physical Basis

    Article • Journal of Chemical Education, September 2003, American Chemical Society (ACS)

    Dr A. Rabdel Ruiz-Salvador

  24. Preliminary characterization of drug support systems based on natural clinoptilolite

    Article • Microporous and Mesoporous Materials, July 2003, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  25. Modelling of hydrated Ca-rich zeolites

    Article • Molecular Simulation, June 2002, Taylor & Francis

    Dr A. Rabdel Ruiz-Salvador

  26. A free energy minimisation study of the monoclinic–orthorhombic transition in MFI zeolite

    Article • Chemical Communications, January 2002, Royal Society of Chemistry

    Dr Ricardo Grau-Crespo, Dr A. Rabdel Ruiz-Salvador

  27. Raffinose–sucrose crystal interaction modelling

    Article • Journal of Crystal Growth, September 2001, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  28. Understanding Si/Al distributions in Al-rich zeolites: the role of water in determining the structure of Goosecreekite

    Article • Chemical Communications, January 2001, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador

  29. Article • Structural Chemistry, January 2001, Springer Science + Business Media

    Dr A. Rabdel Ruiz-Salvador

  30. A computer simulation study of distribution, structure and acid strength of active sites in H-ZSM-5 catalyst

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Dr Ricardo Grau-Crespo, Dr A. Rabdel Ruiz-Salvador

  31. Clinoptilolite–heulandite polymorphism: structural features from computer simulation

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador, Luis Alberto Montero Cabrera

  32. Computational study of substitution of Al by Fe3+ in the AlPO4-5 framework

    Article • Microporous and Mesoporous Materials, July 1999, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  33. Silicon–aluminium distribution in dehydrated calcium heulandite

    Article • Physical Chemistry Chemical Physics, January 1999, Royal Society of Chemistry

    Dr A. Rabdel Ruiz-Salvador, Luis Alberto Montero Cabrera

  34. Proton mobility calculations in the presence of negative capacitances

    Article • EPL (Europhysics Letters), October 1998, Institute of Physics Publishing

    Dr A. Rabdel Ruiz-Salvador

  35. Aluminum Distribution in Low Si/Al Zeolites:  Dehydrated Na−Clinoptilolite

    Article • The Journal of Physical Chemistry, October 1998, American Chemical Society (ACS)

    Dr A. Rabdel Ruiz-Salvador

  36. Conductivity activation energy and analysis of the sintering process of dielectric ceramics

    Article • Materials Letters, August 1998, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  37. Thermal and cation influence on ir vibrations of modified natural clinoptilolite

    Article • Microporous and Mesoporous Materials, March 1998, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  38. CeO2 thin films by flash evaporation

    Article • Solid State Ionics, March 1997, Elsevier

    Dr A. Rabdel Ruiz-Salvador

  39. Space group symmetry and Al—O—P bond angles in AlPO4-5

    Article • Journal of Materials Chemistry, January 1996, Royal Society of Chemistry

    Dr German Sastre, Dr A. Rabdel Ruiz-Salvador