Search results

  • Full text

  • Document type

    • Publication year

  • Organisation

Results: 757
Number of items: 757
  • Open Access
    Dubbeldam, D., Oxford, G. A. E., Krishna, R., Broadbelt, L. J., & Snurr, R. Q. (2010). Distance and angular holonomic constraints in molecular simulations. Journal of Chemical Physics, 133(3), 034114. https://doi.org/10.1063/1.3429610
  • García-Sánchez, A., Ania, C. O., Parra, J. B., Dubbeldam, D., Vlugt, T. J. H., Krishna, R., & Calero, S. (2009). Transferable force field for carbon dioxide adsorption in zeolites. The Journal of Physical Chemistry. C, 113(20), 8814-8820. https://doi.org/10.1021/jp810871f
  • Chmelik, C., Kärger, J., Wiebcke, M., Caro, J., van Baten, J. M., & Krishna, R. (2009). Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations. Microporous and Mesoporous Materials, 117(1-2), 22-32. https://doi.org/10.1016/j.micromeso.2008.06.003
  • Heinke, L., Tzoulaki, D., Chmelik, C., Hibbe, F., van Baten, J. M., Lim, H., Li, Y., Krishna, R., & Kärger, J. (2009). Assessing guest diffusivities in porous hosts from transient concentration profiles. Physical Review Letters, 102(6), 065901. https://doi.org/10.1103/PhysRevLett.102.065901
  • Tzoulaki, D., Heinke, L., Lim, H., Li, J., Olson, D., Caro, J., Krishna, R., Chmelik, C., & Kärger, J. (2009). Assessing surface permeabilities from transient guest profiles in nanoporous host materials. Angewandte Chemie, International Edition, 48(19), 3525-3528. https://doi.org/10.1002/anie.200804785
  • Krishna, R., & van Baten, J. M. (2009). A molecular simulation study of commensurate-incommensurate adsorption of n-alkanes in cobalt formate frameworks. Molecular Simulation, 35(12-13), 1098-1104. https://doi.org/10.1080/08927020902744672
  • Seehamart, K., Nanok, T., Krishna, R., van Baten, J. M., Remsungnen, T., & Fritzsche, S. (2009). A Molecular Dynamics investigation of the influence of framework flexibility on self-diffusivity of ethane in Zn(tbip) frameworks. Microporous and Mesoporous Materials, 125(1-2), 97-100. https://doi.org/10.1016/j.micromeso.2009.01.020
  • Krishna, R., & van Baten, J. M. (2009). A molecular dynamics investigation of a variety of influences of temperature on diffusion in zeolites. Microporous and Mesoporous Materials, 125(1-2), 126-134. https://doi.org/10.1016/j.micromeso.2009.01.015
  • Chmelik, C., Heinke, L., van Baten, J. M., & Krishna, R. (2009). Diffusion of n-butane/iso-butane mixtures in silicalite-1 investigated using infrared (IR) microscopy. Microporous and Mesoporous Materials, 125(1-2), 11-16. https://doi.org/10.1016/j.micromeso.2009.02.015
  • Krishna, R., & van Baten, J. M. (2009). Unified Maxwell-Stefan description of binary mixture diffusion in micro- and meso-porous materials. Chemical Engineering Science, 64(13), 3159-3178. https://doi.org/10.1016/j.ces.2009.03.047
Page 51 of 76