1999

Molecular Simulation of CO2/H-2 Mixture Separation in Metal-organic Frameworks: Effect of Catenation and Electrostatic Interactions

Q. Y. Yang, Q. Xu, B. Liu, C. L. Zhong, and B. Smit, Molecular Simulation of CO2/H-2 Mixture Separation in Metal-organic Frameworks: Effect of Catenation and Electrostatic Interactions Chin. J. Chem. Eng. 17 (5), 781 (2009) http://dx.doi.org/10.1016/S1004-9541(08)60277-3

Molecular Simulation techniques using classical force fields

T. J. H. Vlugt, K. Malek, and B. Smit, Molecular Simulation techniques using classical force fields in Computational Methods in Catalysis and Materials Science An Introduction for Scientists and Engineers, edited by R. A. V. Santen and P. Sautet (Wiley-VCH, Weinheim, 2009), pp. 123. http://dx.doi.org/10.1002/9783527625482.ch7

Adsorption and Diffusion in Porous Systems

K. Malek, T. J. H. Vlugt, and B. Smit, Adsorption and Diffusion in Porous Systems in Computational Methods in Catalysis and Materials Science An Introduction for Scientists and Engineers, edited by R. A. V. Santen and P. Sautet (Wiley-VCH, Weinheim, 2009), pp. 295. http://dx.doi.org/10.1002/9783527625482.ch14

Comparative Molecular Simulation Study of CO2/N2 and CH4/N2 Separation in Zeolites and Metal-Organic Frameworks

B. Liu and B. Smit, Comparative Molecular Simulation Study of CO2/N2 and CH4/N2 Separation in Zeolites and Metal-Organic Frameworks Langmuir 25 (10), 5918 (2009) http://dx.doi.org/10.1021/la900823d

Comment on ``Cluster Formation of Transmembrane Proteins Due to Hydrophobic Mismatching''

F. de Meyer and B. Smit, Comment on ``Cluster Formation of Transmembrane Proteins Due to Hydrophobic Mismatching'' Phys. Rev. Lett. 102 (21), 219801 (2009) http://dx.doi.org/10.1103/PhysRevLett.102.219801

Effect of cholesterol on the structure of a phospholipid bilayer

F. de Meyer and B. Smit, Effect of cholesterol on the structure of a phospholipid bilayer Proc Natl Acad Sci USA 106 (10), 3654 (2009) http://dx.doi.org/10.1073/pnas.0809959106

Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?

T. Chen, B. Smit, and A. T. Bell, Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities? J. Chem. Phys. 131 (24), 246101 (2009) http://dx.doi.org/10.1063/1.3274802

Evaluation of various water models for simulation of adsorption in hydrophobic zeolites

J. M. Castillo, D. Dubbeldam, T. J. H. Vlugt, B. Smit, and S. Calero, Evaluation of various water models for simulation of adsorption in hydrophobic zeolites Mol. Simul. 35 (12-13), 1067 (2009) http://dx.doi.org/10.1080/08927020902865923


Lithium-Doped 3D Covalent Organic Frameworks: High-Capacity Hydrogen Storage Materials

D. P. Cao, J. H. Lan, W. C. Wang, and B. Smit, Lithium-Doped 3D Covalent Organic Frameworks: High-Capacity Hydrogen Storage Materials Angew Chem Int Edit 48 (26), 4730 (2009) http://dx.doi.org/10.1002/Anie.200900960


© Berend Smit 2013