2006

Understanding Diffusion in Nanoporous Materials

E. Beerdsen, D. Dubbeldam, and B. Smit, Understanding Diffusion in Nanoporous Materials Phys. Rev. Lett. 96, 044501 (2006) http://dx.doi.org/10.1103/PhysRevLett.96.044501

Loading Dependence of the Diffusion Coefficient of Methane in Nanoporous Materials

E. Beerdsen, D. Dubbeldam, and B. Smit, Loading Dependence of the Diffusion Coefficient of Methane in Nanoporous Materials J. Phys. Chem. B. 110, 22754 (2006) http://dx.doi.org/10.1021/jp0641278

Diffusion in Confinement - Agreement Between Experiments Better than Expected

E. Beerdsen and B. Smit, Diffusion in Confinement - Agreement Between Experiments Better than Expected J. Phys. Chem. B 110, 14529 (2006) http://dx.doi.org/10.1021/jp062867a

A Coarse-Graining Approach for the Proton Complex in Protonated Aluminosilicates

S. Calero, M. D. Lobato, E. Garcýa-Perez, J. A. Mejias, S. Lago, T. J. H. Vlugt, T. L. M. Maesen, B. Smit, and D. Dubbeldam, A Coarse-Graining Approach for the Proton Complex in Protonated Aluminosilicates J. Phys. Chem. B 110, 5838 (2006) http://dx.doi.org/10.1021/jp060174o

Dynamically Corrected Transition State Theory Calculations of Self-Diffusion in Anisotropic Nanoporous Materials 3

D. Dubbeldam, E. Beerdsen, S. Calero, and B. Smit, Dynamically Corrected Transition State Theory Calculations of Self-Diffusion in Anisotropic Nanoporous Materials J. Phys. Chem. B. 110 (7), 3164 (2006) http://dx.doi.org/10.1021/jp0542470

Temperature and Size Effects on Diffusion in Carbon Nanotubes

S. Jakobtorweihen, F. J. Keil, and B. Smit, Temperature and Size Effects on Diffusion in Carbon Nanotubes J. Phys. Chem. B 110, 16332 (2006) http://dx.doi.org/10.1021/jp063424+

A novel algorithm to model the influence of host lattice flexibility in molecular dynamics simulations: Loading dependence of self-diffusion in carbon nanotubes

S. Jakobtorweihen, C. P. Lowe, F. J. Keil, and B. Smit, A novel algorithm to model the influence of host lattice flexibility in molecular dynamics simulations: Loading dependence of self-diffusion in carbon nanotubes J. Chem. Phys. 124 (15) (2006) http://dx.doi.org/10.1063/1.2185619

Molecular simulation of adsorption of alkanes in sodium MOR-type zeolites using a new force field

B. Liu and B. Smit, Molecular simulation of adsorption of alkanes in sodium MOR-type zeolites using a new force field Phys. Chem. Chem. Phys. 8 (15), 1852 (2006) http://dx.doi.org/10.1039/b517774j

Evaluation of a new force field for describing the adsorption behavior of alkanes in various pure silica zeolites

B. Liu and B. Smit, Evaluation of a new force field for describing the adsorption behavior of alkanes in various pure silica zeolites J. Phys. Chem. B 110, 20166 (2006) http://dx.doi.org/10.1021/jp064413j

Understanding cage effects in the n-alkane conversion on zeolites

T. L. M. Maesen, S. Calero, M. Schenk, and B. Smit, Understanding cage effects in the n-alkane conversion on zeolites J. Catal. 237, 278 (2006) http://dx.doi.org/10.1016/j.jcat.2005.11.007

Mesoscopic Simulations of Biological Membranes

B. Smit, M. Kranenburg, M. M. Sperotto, and M. Venturoli, Mesoscopic Simulations of Biological Membranes Lect. Notes Phys. 704, 259 (2006) http://dx.doi.org/10.1007/3-540-35284-8_11 

Molecular order and disorder of surfactants in clay nanocomposites

T. J. Tambach, E. S. Boek, and B. Smit, Molecular order and disorder of surfactants in clay nanocomposites Phys. Chem. Chem. Phys. 8 (23), 2700 (2006) http://dx.doi.org/10.1039/b601373b

Hysteresis in Clay Swelling Induced by Hydrogen Bonding: Accurate Prediction of Swelling States

T. J. Tambach, P. G. Bolhuis, E. J. M. Hensen, and B. Smit, Hysteresis in Clay Swelling Induced by Hydrogen Bonding: Accurate Prediction of Swelling States Langmuir 22, 1223 (2006) http://dx.doi.org/10.1021/la051367q

Mesoscopic models of biological membranes

M. Venturoli, M. M. Sperotto, M. Kranenburg, and B. Smit, Mesoscopic models of biological membranes Phys. Rep. 437, 1 (2006) http://dx.doi.org/10.1016/j.physrep.2006.07.006


© Berend Smit 2019