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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
  • 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
  • Krishna, R., & van Baten, J. M. (2009). An investigation of the characteristics of Maxwell-Stefan diffusivities of binary mixtures in silica nanopores. Chemical Engineering Science, 64(5), 870-882. https://doi.org/10.1016/j.ces.2008.10.045
  • Hansen, N., Krishna, R., van Baten, J. M., Bell, A. T., & Keil, F. J. (2009). Analysis of diffusion limitation in the alkylation of benzene over H-ZSM-5 by combining quantum chemical calculations, molecular simulations, and a continuum approach. The Journal of Physical Chemistry. C, 113(1), 235-246. https://doi.org/10.1021/jp8073046
  • Dubbeldam, D., Krishna, R., & Snurr, R. Q. (2009). Method for analyzing structural changes of flexible metal-organic frameworks induced by adsorbates. The Journal of Physical Chemistry. C, 113(44), 19317-19327. https://doi.org/10.1021/jp906635f
  • Krishna, R. (2009). Describing the diffusion of guest molecules inside porous structures. The Journal of Physical Chemistry. C, 113(46), 19756-19781. https://doi.org/10.1021/jp906879d
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