Publications (13) Ángel Rabdel Ruiz Salvador publications View referenced research data.

filter_list Chemical Physics

2024

  1. Structural Features and Zeolite Stability: A Linearized Equation Approach

    Crystal Growth & Design, Vol. 24, Núm. 3, pp. 938-946

  2. Synthesis and modification of zeolite A from rice husk for use in water treatment.

    Biosaia: Revista de los másteres de Biotecnología Sanitaria y Biotecnología Ambiental, Industrial y Alimentaria, Núm. 13

2020

  1. A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite

    Microporous and Mesoporous Materials, Vol. 294

2018

  1. Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: The case of aluminogermanate PKU-9

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 26, pp. 18047-18055

  2. The Si-Ge substitutional series in the chiral STW zeolite structure type

    Journal of Materials Chemistry A, Vol. 6, Núm. 31, pp. 15110-15122

2017

  1. Importance of Blocking Inaccessible Voids on Modeling Zeolite Adsorption: Revisited

    Journal of Physical Chemistry C, Vol. 121, Núm. 8, pp. 4462-4470

  2. Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series

    Nature Communications, Vol. 8

2016

  1. Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

    Chemistry - A European Journal, Vol. 22, Núm. 29, pp. 10036-10043

2015

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

    Journal of Solid State Chemistry, Vol. 223, pp. 144-151

2001

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

    Chemical Communications, pp. 531-532

2000

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

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 24, pp. 5716-5722

1999

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

    Microporous and Mesoporous Materials, Vol. 29, Núm. 3, pp. 361-367

1998

  1. Proton mobility calculations in the presence of negative capacitances

    Europhysics Letters, Vol. 44, Núm. 2, pp. 211-215