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Tang, Y., Dubbeldam, D., & Tanase, S. (2019). Water-Ethanol and Methanol-Ethanol Separations Using in Situ Confined Polymer Chains in a Metal-Organic Framework. ACS Applied Materials and Interfaces, 11(44), 41383-41393. https://doi.org/10.1021/acsami.9b14367

Dong, C., Song, X., Zhang, J., Chen, H., Meijer, E. J., & Yu, J. (2019). Selecting solvents for intensification of thermal dissociation of tri-n-octylamine hydrochloride by calculating infrared spectra from ab initio molecular dynamics. Chemical engineering journal, 377, Article 120120. https://doi.org/10.1016/j.cej.2018.10.057

Hermans, J. J., Baij, L., Koenis, M., Keune, K., Iedema, P. D., & Woutersen, S. (2019). 2D-IR spectroscopy for oil paint conservation: Elucidating the water-sensitive structure of zinc carboxylate clusters in ionomers. Science Advances, 5(6), Article eaaw3592. https://doi.org/10.1126/sciadv.aaw3592

Krishna, R. (2019). Highlighting the Influence of Thermodynamic Coupling on Kinetic Separations with Microporous Crystalline Materials. ACS Omega, 4(2), 3409-3419. https://doi.org/10.1021/acsomega.8b03480

Tang, Y., Dubbeldam, D., Guo, X., Rothenberg, G., & Tanase, S. (2019). Efficient Separation of Ethanol-Methanol and Ethanol-Water Mixtures Using ZIF-8 Supported on a Hierarchical Porous Mixed-Oxide Substrate. ACS Applied Materials and Interfaces, 11(23), 21126-21136. https://doi.org/10.1021/acsami.9b02325

Dubbeldam, D., Walton, K. S., Vlugt, T. J. H., & Calero, S. (2019). Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials. Advanced Theory and Simulations, 2(11), Article 1900135. https://doi.org/10.1002/adts.201900135

Dubbeldam, D., Vreede, J., Vlugt, T. J. H., & Calero, S. (2019). Highlights of (bio-)chemical tools and visualization software for computational science. Current Opinion in Chemical Engineering, 23, 1-13. https://doi.org/10.1016/j.coche.2019.02.001

Rahbari, A., Hens, R., Dubbeldam, D., & Vlugt, T. J. H. (2019). Improving the accuracy of computing chemical potentials in CFCMC simulations. Molecular Physics, 117(23-24), 3493-3508. https://doi.org/10.1080/00268976.2019.1631497

Zhang, C., Liu, X., Lu, X., Meijer, E. J., & Wang, R. (2019). An atomic-scale understanding of the initial stage of nucleation of heavy metal cations on clay edges. Geochimica et Cosmochimica Acta, 248, 161-171. https://doi.org/10.1016/j.gca.2019.01.010