All Stories

  1. Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4

    Article • Molecular Simulation, August 2019, Taylor & Francis

    Nora de Leeuw, Dr Robert G Bell

  2. Modelling crystalline microporous materials

    Article • Zeitschrift für Kristallographie - Crystalline Materials, July 2019, De Gruyter

    Dr Michael Fischer, Dr Robert G Bell

  3. The addition of CO2to four superbase ionic liquids: a DFT study

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

    Dr Robert G Bell

  4. Interaction of hydrogen and carbon dioxide with sod-type zeolitic imidazolate frameworks: a periodic DFT-D study

    Article • January 2014, Royal Society of Chemistry

    Dr Robert G Bell, Dr Michael Fischer

  5. Cation-exchanged SAPO-34 for adsorption-based hydrocarbon separations: predictions from dispersion-corrected DFT calculations

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Robert G Bell, Dr Michael Fischer

  6. Identifying Promising Zeolite Frameworks for Separation Applications: A Building-Block-Based Approach

    Article • The Journal of Physical Chemistry C, August 2013, American Chemical Society (ACS)

    Dr Robert G Bell, Dr Michael Fischer

  7. Influence of Zeolite Topology on CO 2 /N 2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model

    Article • The Journal of Physical Chemistry C, December 2012, American Chemical Society (ACS)

    Dr Robert G Bell, Dr Michael Fischer

  8. A zeolite family with chiral and achiral structures built from the same building layer

    Article • Nature Materials, April 2008, Springer Science + Business Media

    Dr Robert G Bell

  9. Calculating the energy barriers to sodium cation motion through the six-rings of zeolite Y

    Article • Microporous and Mesoporous Materials, March 2008, Elsevier

    Dr Robert G Bell

  10. Molecular Modelling in Zeolite Science

    Article • January 2007, Elsevier

    Dr Robert G Bell, Dr Ben Slater

  11. Observation of the effect of chemical composition on framework-type preference

    Article • January 2007, Elsevier

    Dr Robert G Bell

  12. Tetrahedral Distortion and Energetic Packing Penalty in “Zeolite” Frameworks:  Linked Phenomena?

    Article • The Journal of Physical Chemistry, August 2005, American Chemical Society (ACS)

    Dr Robert G Bell

  13. Cation Mobility and the Sorption of Chloroform in Zeolite NaY:  Molecular Dynamics Study

    Article • The Journal of Physical Chemistry, March 2005, American Chemical Society (ACS)

    Dr Robert G Bell

  14. Molecular dynamics simulation of methanol in zeolite NaY

    Article • January 2005, Elsevier

    Dr Robert G Bell

  15. Modeling the Effect of Hydration in Zeolite Na+—Mordenite.

    Article • ChemInform, May 2004, Wiley

    Dr Robert G Bell

  16. Hypothetical Uninodal Zeolite Structures: Comparison of AlPO4 and SiO2 Compositions Using Computer Simulation.

    Article • ChemInform, March 2004, Wiley

    Dr Robert G Bell

  17. Hypothetical Uninodal Zeolite Structures:  Comparison of AlPO 4 and SiO 2 Compositions Using Computer Simulation

    Article • The Journal of Physical Chemistry, January 2004, American Chemical Society (ACS)

    Dr Robert G Bell

  18. 16-P-13 - Characterisation of hypothetical zeolite frameworks

    Article • January 2001, Elsevier

    Dr Robert G Bell

  19. Molecular Modeling of Carbonaceous Compounds Formed Inside the Pores of FER Zeolite during Skeletal Isomerization of n -Butene

    Article • The Journal of Physical Chemistry, May 2000, American Chemical Society (ACS)

    Dr Robert G Bell

  20. COMPUTER MODELLING OF MICROPOROUS SOLIDS

    Article • January 1993, Elsevier

    Dr Robert G Bell

  21. Löwenstein's rule in zeolite A: A computational study

    Article • Zeolites, September 1992, Elsevier

    Dr Robert G Bell

  22. Computer Simulation Studies of Zeolite Structure and Stability

    Article • January 1989, Elsevier

    Dr Robert G Bell