Vila Verde, A., Bolhuis, P. G., & Kramer Campen, R. (2012). Statics and dynamics of free and hydrogen-bonded OH groups at the air/water interface. The journal of Physical Chemistry. B, 116(31), 9467-9481. https://doi.org/10.1021/jp304151e

Zeiler, R. N. W., & Bolhuis, P. G. (2012). Numerical study of the effect of thiol-disulfide exchange in the cluster phase of beta-lactoglobulin aggregation. Faraday Discussions, 158, 461-477. https://doi.org/10.1039/c2fd20030a

Dubbeldam, D., Krishna, R., Calero, S., & Yazaydın, A. Ö. (2012). Computer‐Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers. Angewandte Chemie, International Edition, 51(47), 11867-11871. https://doi.org/10.1002/anie.201205040, https://doi.org/10.1002/ange.201205040

Cannon, J. J., Vlugt, T. J. H., Dubbeldam, D., Maruyama, S., & Shiomi, J. (2012). A simulation study on the adsorption properties of linear alkanes on closed nanotube bundles. The journal of Physical Chemistry. B, 116(32), 9812-9819. https://doi.org/10.1021/jp3039225

Iedema, P. D., Dreischor, M., Hungenberg, K.-D., & Orlov, Y. (2012). Predicting the change of MWD caused by interchange reactions during melt-mixing of linear and branched polycondensates (AB(2)). Macromolecular Theory and Simulations, 21(9), 629-647. https://doi.org/10.1002/mats.201200042

Juraszek, J., Vreede, J., & Bolhuis, P. G. (2012). Transition path sampling of protein conformational changes. Chemical Physics, 396, 30-44. https://doi.org/10.1016/j.chemphys.2011.04.032

Ensing, B., Costanzo, F., & Silvestrelli, P. L. (2012). On the polarity of buckminsterfullerene with a water molecule inside. The Journal of Physical Chemistry. A, 116(49), 12184-12188. https://doi.org/10.1021/jp311161q

Lu, W., Sculley, J. P., Yuan, D., Krishna, R., Wei, Z., & Zhou, H.-C. (2012). Polyamine-tethered porous polymer networks for carbon dioxide capture from flue gas. Angewandte Chemie, International Edition, 51(30), 7480-7484. https://doi.org/10.1002/anie.201202176, https://doi.org/10.1002/ange.201202176

He, Y., Zhang, Z., Xiang, S., Fronczek, F. R., Krishna, R., & Chen, B. (2012). A robust doubly interpenetrated metal-organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbons. Chemical Communications, 48(52), 6493-6495. https://doi.org/10.1039/c2cc31792c

He, Y., Zhang, Z., Xiang, S., Fronczek, F. R., Krishna, R., & Chen, B. (2012). A microporous metal-organic framework for highly selective separation of acetylene, ethylene, and ethane from methane at room temperature. Chemistry - A European Journal, 18(2), 613-619. https://doi.org/10.1002/chem.201102734