Caratelli, C., Hajek, J., Rogge, S. M. J., Vandenbrande, S., Meijer, E. J., Waroquier, M., & Van Speybroeck, V. (2018). Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO-66. ChemPhysChem, 19(4), 420-429. https://doi.org/10.1002/cphc.201701109

Baij, L., Hermans, J. J., Keune, K., & Iedema, P. (2018). Time-Dependent ATR-FTIR Spectroscopic Studies on Fatty Acid Diffusion and the Formation of Metal Soaps in Oil Paint Model Systems. Angewandte Chemie, International Edition, 57(25), 7351-7354. https://doi.org/10.1002/anie.201712751, https://doi.org/10.1002/ange.201712751

Muždalo, A., Saalfrank, P., Vreede, J., & Santer, M. (2018). Cis-to-Trans Isomerization of Azobenzene Derivatives Studied with Transition Path Sampling and Quantum Mechanical/Molecular Mechanical Molecular Dynamics. Journal of Chemical Theory and Computation, 14(4), 2042-2051. https://doi.org/10.1021/acs.jctc.7b01120

Rahbari, A., Hens, R., Nikolaidis, I. K., Poursaeidesfahani, A., Ramdin, M., Economou, I. G., Moultos, O. A., Dubbeldam, D., & Vlugt, T. J. H. (2018). Computation of partial molar properties using continuous fractional component Monte Carlo. Molecular Physics, 116(21-22), 3331-3344. https://doi.org/10.1080/00268976.2018.1451663

Becker, T. M., Wang, M., Kabra, A., Jamali, S. H., Ramdin, M., Dubbeldam, D., Infante Ferreira, C. A., & Vlugt, T. J. H. (2018). Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation. Industrial & Engineering Chemistry Research, 57(15), 5442-5452. https://doi.org/10.1021/acs.iecr.8b00442

Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2018). iRASPA: GPU-accelerated visualization software for materials scientists. Molecular Simulation, 44(8), 653-676. https://doi.org/10.1080/08927022.2018.1426855

Liu, L., Lukose, B., & Ensing, B. (2018). A Free Energy Landscape of CO₂ Capture by Frustrated Lewis Pairs. ACS Catalysis, 8(4), 3376-3381. https://doi.org/10.1021/acscatal.7b04072

Krishna, R. (2018). Occupancy Dependency of Maxwell–Stefan Diffusivities in Ordered Crystalline Microporous Materials. ACS Omega, 3(11), 15743–15753. https://doi.org/10.1021/acsomega.8b02465

Zhang, W., Ensing, B., Rothenberg, G., & Shiju, N. R. (2018). Designing effective solid catalysts for biomass conversion: Aerobic oxidation of ethyl lactate to ethyl pyruvate. Green Chemistry, 20(8), 1866-1873. https://doi.org/10.1039/C8GC00032H

Rodenburg, J., Paliwal, S., de Jager, M., Bolhuis, P. G., Dijkstra, M., & van Roij, R. (2018). Ratchet-induced variations in bulk states of an active ideal gas. Journal of Chemical Physics, 149(17), Article 174910. https://doi.org/10.1063/1.5048698