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Results: 173
Number of items: 173
  • Dubbeldam, D., Walton, I. M., Hungerford, J. T., Burtch, N. C., Morelock, C. R., Walton, K. S., Jiao, Y., Yakovenko, A. A., Xu, W., Chen, Y.-S., & Heinen, J. (2020). CCDC 1864842: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc20lj6c
  • Yakovenko, A. A., Walton, K. S., Dubbeldam, D., Hungerford, J. T., Chen, Y.-S., Walton, I. M., Burtch, N. C., Morelock, C. R., Xu, W., Jiao, Y., & Heinen, J. (2020). CCDC 1864839: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc20lj38
  • Yakovenko, A. A., Walton, I. M., Hungerford, J. T., Chen, Y.-S., Burtch, N. C., Jiao, Y., Xu, W., Morelock, C. R., Heinen, J., Walton, K. S., & Dubbeldam, D. (2020). CCDC 1864838: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc20lj27
  • Xu, W., Jiao, Y., Walton, I. M., Chen, Y.-S., Dubbeldam, D., Burtch, N. C., Heinen, J., Morelock, C. R., Hungerford, J. T., Walton, K. S., & Yakovenko, A. A. (2020). CCDC 1864840: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc20lj49
  • Open Access
    Hens, R., Rahbari, A., Caro-Ortiz, S., Dawass, N., Erdos, M., Poursaeidesfahani, A., Salehi, H. S., Celebi, A. T., Ramdin, M., Moultos, O. A., Dubbeldam, D., & Vlugt, T. J. H. (2020). Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method. Journal of Chemical Information and Modeling, 60(6), 2678-2682. https://doi.org/10.1021/acs.jcim.0c00334
  • Open Access
    Burtch, N. C., Walton, I. M., Hungerford, J. T., Morelock, C. R., Jiao, Y., Heinen, J., Chen, Y.-S., Yakovenko, A. A., Xu, W., Dubbeldam, D., & Walton, K. S. (2020). In situ visualization of loading-dependent water effects in a stable metal–organic framework. Nature Chemistry, 12(2), 186–192. https://doi.org/10.1038/s41557-019-0374-y
  • Open Access
    Rahbari, A., Hens, R., Moultos, O. A., Dubbeldam, D., & Vlugt, T. J. H. (2020). Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling. Journal of Chemical Theory and Computation, 16(3), 1757-1767. https://doi.org/10.1021/acs.jctc.9b01097
  • Open Access
    Rahbari, A., Josephson, T. R., Sun, Y., Moultos, O. A., Dubbeldam, D., Siepmann, J. I., & Vlugt, T. J. H. (2020). Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation. Fluid Phase Equilibria, 523, Article 112785. https://doi.org/10.1016/j.fluid.2020.112785
  • Open Access
    Gheorghe, A., Strudwick, B., Dawson, D. M., Ashbrook, S. E., Woutersen, S., Dubbeldam, D., & Tanase, S. (2020). Synthesis of Chiral MOF-74 Frameworks by Post-Synthetic Modification by Using an Amino Acid. Chemistry-A European Journal, 26(61), 13957-13965. https://doi.org/10.1002/chem.202002293
  • Open Access
    Caro-Ortiz, S., Zuidema, E., Dekker, D., Rigutto, M., Dubbeldam, D., & Vlugt, T. J. H. (2020). Adsorption of Aromatics in MFI-Type Zeolites: Experiments and Framework Flexibility in Monte Carlo Simulations. Journal of Physical Chemistry C, 124(39), 21782-21797. https://doi.org/10.1021/acs.jpcc.0c06096
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