LSMO - Laboratory of molecular simulation

Latest additions

• 2017-03-27
  18:03
  A. Janda, B. Vlaisavljevich, B. Smit, L.-C. Lin and A. T. Bell. Effects of Pore and Cage Topology on the Thermodynamics of n-Alkane Adsorption at Bronsted Protons in Zeolites at High Temperature, in Journal Of Physical Chemistry C, vol. 121, num. 3, p. 1618-1638, 2017.

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• 2017-01-24
  17:01
  E. Braun, A. F. Zurhelle, W. Thijssen, S. K. Schnell and L.-C. Lin et al. High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas, in Molecular Systems Design & Engineering, vol. 1, num. 2, p. 175-188, 2016.

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• 2016-11-21
  17:07
  L. Joos, J. M. Huck, V. Van Speybroeck and B. Smit. Cutting the cost of carbon capture: a case for carbon capture and utilization, in Faraday Discussions, vol. 192, p. 391-414, 2016.

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• 2016-11-21
  17:07
  B. Smit. Carbon Capture and Storage: introductory lecture, in Faraday Discussions, vol. 192, p. 9-25, 2016.

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• 2016-10-18
  14:34
  M. Witman, S. Ling, S. Anderson, L. Tong and K. C. Stylianou et al. In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis, in Chemical Science, vol. 7, num. 9, p. 6263-6272, 2016.

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• 2016-07-19
  12:08
  G. W. Mann, K. Lee, M. Cococcioni, B. Smit and J. B. Neaton. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks, in Journal Of Chemical Physics, vol. 144, num. 17, p. 174104, 2016.

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• 2016-07-19
  12:06
  S. Katira, K. K. Mandadapu, S. Vaikuntanathan, B. Smit and D. Chandler. Pre-transition effects mediate forces of assembly between transmembrane proteins, in Elife, vol. 5, p. e13150, 2016.

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• 2016-07-19
  12:06
  A. Janda, B. Vlaisavljevich, L.-C. Lin, B. Smit and A. T. Bell. Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane, in Journal Of The American Chemical Society, vol. 138, num. 14, p. 4739-4756, 2016.

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• 2016-04-01
  12:48
  C. M. Simon, B. Smit and M. Haranczyk. pyIAST: Ideal adsorbed solution theory (IAST) Python package, in Computer Physics Communications, vol. 200, p. 364-380, 2016.

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• 2016-02-16
  10:22
  E. Braun, J. J. Chen, S. K. Schnell, L.-C. Lin and J. A. Reimer et al. Nanoporous Materials Can Tune the Critical Point of a Pure Substance, in Angewandte Chemie-International Edition, vol. 54, num. 48, p. 14349-14352, 2015.

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