2011

Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?

J. Kim, J. M. Rodgers, M. Athenes, and B. Smit, Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not? J. Chem. Theory Comput. 7 (10), 3208 (2011) http://dx.doi.org/10.1021/ct200474j

Abstract: In the waste recycling Monte Carlo (WRMC) algorithm,

Adsorption and diffusion in zeolites: the pitfall of isotypic crystal structures

N. E. R. Zimmermann, M. Haranczyk, M. Sharma, B. Liu, B. Smit, and F. J. Keil, Adsorption and diffusion in zeolites: the pitfall of isotypic crystal structures Mol. Simul. 37 (12), 986 (2011) http://dx.doi.org/10.1080/08927022.2011.562502

Abstract:

Direct Air Capture of CO2 with Chemicals: A Technology Assessment for the APS Panel on Public Affairs

R. Socolow, M. Desmond, R. Aines, J. Blackstock, O. Bolland, T. Kaarsberg, N. Lewis, M. Mazzotti, A. Pfeffer, K. Sawyer, J. Siirola, B. Smit, and J. Wilcox, Direct Air Capture of CO2 with Chemicals: A Technology Assessment for the APS Panel on Public Affairs

Metal-Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture

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Z. R. Herm, J. A. Swisher, B. Smit, R. Krishna, and J. R. Long, Metal-Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture J. Am. Chem. Soc. 133 (15), 5664 (2011) http://dx.doi.org/10.1021/ja111411q

Selective Binding of O(2) over N(2) in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites

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E. D. Bloch, L. J. Murray, W. L. Queen, S. Chavan, S. N. Maximoff, J. P. Bigi, R. Krishna, V. K. Peterson, F. Grandjean, G. J. Long, B. Smit, S. Bordiga, C. M. Brown, and J. R. Long, Selective Binding of O(2) over N(2) in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites


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