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Bux, H., Chmelik, C., van Baten, J. M., Krishna, R., & Caro, J. (2010). Novel MOF-membrane for molecular sieving predicted by IR-diffusion studies and molecular modeling. Advanced materials, 22(42), 4741-4743. https://doi.org/10.1002/adma.201002066
Liu, X., Lu, X., Meijer, E. J., & Wang, R. (2010). Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated? Physical Chemistry Chemical Physics, 12(36), 10801-10804. https://doi.org/10.1039/c001916j
Liu, X., Meijer, E. J., Lu, X., & Wang, R. (2010). Ab initio molecular dynamics study of Fe-containing smectites. Clays and clay minerals, 58(1), 89-96. https://doi.org/10.1346/CCMN.2010.0580109
Snurr, R. Q., Yazaydin, A. Ö., Dubbeldam, D., & Frost, H. (2010). Molecular modeling of adsorption and diffusion in metal-organic frameworks. In L. R. MacGillivray (Ed.), Metal-organic frameworks: design and application (pp. 313-339). Wiley. https://doi.org/10.1002/9780470606858.ch11
Ensing, B., & Nielsen, S. O. (2010). Multiscale molecular dynamics and the reverse mapping problem. In T. Dumitrica (Ed.), Trends in computational nanomechanics: transcending length and time scales (pp. 25-59). (Challenges and advances in computational chemistry and physics; No. 9). Springer. https://doi.org/10.1007/978-1-4020-9785-0_2
Getzschmann, J., Senkovska, I., Wallacher, D., Tovar, M., Fairen-Jimenez, D., Düren, T., van Baten, J. M., Krishna, R., & Kaskel, S. (2010). Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study. Microporous and Mesoporous Materials, 136(1-3), 50-58. https://doi.org/10.1016/j.micromeso.2010.07.020
Krishna, R., & van Baten, J. M. (2010). Mutual slowing-down effects in mixture diffusion in zeolites. The Journal of Physical Chemistry. C, 114(30), 13154-13156. https://doi.org/10.1021/jp105240c
Krishna, R., & van Baten, J. M. (2010). Hydrogen bonding effects in adsorption of water-alcohol mixtures in zeolites and the consequences for the characteristics of the Maxwell-Stefan diffusivities. Langmuir, 26(13), 10854-10867. https://doi.org/10.1021/la100737c
Krishna, R., & van Baten, J. M. (2010). Comment on "Modeling adsorption and self-diffusion of methane in LTA zeolites: the influence of framework flexibility". The Journal of Physical Chemistry. C, 114(41), 18017-18021. https://doi.org/10.1021/jp107956z
Krishna, R., & van Baten, J. M. (2010). Describing mixture diffusion in microporous materials under conditions of pore saturation. The Journal of Physical Chemistry. C, 114(26), 11557-11563. https://doi.org/10.1021/jp1036124

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