Search results
Results: 173
Number of items: 173
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Heinen, J., & Dubbeldam, D. (2016). Understanding and solving disorder in the substitution pattern of amino functionalized MIL-47(V). Dalton Transactions, 45(10), 4309-4315. https://doi.org/10.1039/c5dt03399c -
Dubbeldam, D., Calero, S., Ellis, D. E., & Snurr, R. Q. (2016). RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials. Molecular Simulation, 42(2), 81-101. https://doi.org/10.1080/08927022.2015.1010082 -
Poursaeidesfahani, A., Torres-Knoop, A., Dubbeldam, D., & Vlugt, T. J. H. (2016). Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble. Journal of Chemical Theory and Computation, 12(4), 1481-1490. https://doi.org/10.1021/acs.jctc.5b01230 -
Vicent-Luna, J. M., Dubbeldam, D., Gómez-Álvarez, P., & Calero, S. (2016). Aqueous solutions of ionic liquids: microscopic assembly. ChemPhysChem, 17(3), 380-386. https://doi.org/10.1002/cphc.201501022 -
Burtch, N. C., Dubbeldam, D., & Walton, K. S. (2015). Investigating water and framework dynamics in pillared MOFs. Molecular Simulation, 41(16-17), 1379-1387. https://doi.org/10.1080/08927022.2015.1030861
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Burtch, N. C., Torres-Knoop, A., Foo, G. S., Leisen, J., Sievers, C., Ensing, B., Dubbeldam, D., & Walton, K. S. (2015). Understanding DABCO Nanorotor Dynamics in Isostructural Metal-Organic Frameworks. The Journal of Physical Chemistry Letters, 6(5), 812-816. https://doi.org/10.1021/jz502653y -
Torres-Knoop, A., & Dubbeldam, D. (2015). Exploiting large-pore metal-organic frameworks for separations through entropic molecular mechanisms. ChemPhysChem, 16(10), 2046-2067. https://doi.org/10.1002/cphc.201500195 -
Ramdin, M., Balaji, S. P., Torres-Knoop, A., Dubbeldam, D., de Loos, T. W., & Vlugt, T. J. H. (2015). Solubility of natural gas species in ionic liquids and commercial solvents: experiments and Monte Carlo simulations. Journal of Chemical and Engineering Data, 60(10), 3039-3045. https://doi.org/10.1021/acs.jced.5b00469 -
Balestra, S. R. G., Hamad, S., Ruiz-Salvador, A. R., Domínguez-García, V., Merkling, P. J., Dubbeldam, D., & Calero, S. (2015). Understanding nanopore window distortions in the reversible molecular valve zeolite RHO. Chemistry of Materials, 27(16), 5657-5667. https://doi.org/10.1021/acs.chemmater.5b02103
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