2004

The selectivity of n-hexane hydroconversion on MOR-, MAZ- and FAU-type zeolites

S. Calero, M. Schenk, D. Dubbeldam, T. L. M. Maesen, and B. Smit, The selectivity of n-hexane hydroconversion on MOR-, MAZ- and FAU-type zeolites J. Catal. 228, …

Understanding the Role of Sodium During Adsorption. A Force Field for Alkanes in Sodium Exchanged Faujasites

S. Calero, D. Dubbeldam, R. Krishna, B. Smit, T. J. H. Vlugt, J. F. Denayer, J. A. Martens, and T. L. M. Maesen, Understanding the Role of Sodium During Adsorption. …

Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems

E. Beerdsen, B. Smit, and D. Dubbeldam, Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems Phys. Rev. Lett. 93, art. no 248301 (2004)

Computer modeling of micorporous materials

Catlowetal

C. R. A. Catlow, R. A. van Santen, and B. Smit (editors) Computer modeling of micorporous materials, edited by  (Elsevier, Amsterdam, 2004).

Microporous materials, …

Force field parametrization through fitting on inflection points in isotherms

D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, E. Beerdsen, and B. Smit, Force field parametrization through fitting on inflection points …

United Atom Force Field for Alkanes in Nanoporous Materials

D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, and B. Smit, United Atom Force Field for Alkanes in Nanoporous Materials J. Phys. Chem. B

Reply to the Comment on “Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects”

D. Dubbeldam, T. L. M. Maesen, and B. Smit, Reply to the Comment on “Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects” …

Capillary phase transitions of n-alkanes in a carbon nanotube

J. W. Jiang, S. I. Sandler, and B. Smit, Capillary phase transitions of n-alkanes in a carbon nanotube Nano Lett. 4 (2), 241 (2004) http://dx.doi.org/10.1021/nl034961y

Mesoscopic simulations of phase transitions in lipid bilayers

M. Kranenburg, C. Laforge, and B. Smit, Mesoscopic simulations of phase transitions in lipid bilayers Phys. Chem. Chem. Phys. 6, 4531 (2004) http://dx.doi.org/…

Comparison of mesoscopic phospholipid–water models

M. Kranenburg, J.-P. Nicolas, and B. Smit, Comparison of mesoscopic phospholipid–water models Phys. Chem. Chem. Phys. 6 (16), 4142 (2004) http://dx.doi.org/10.1039/…

Simulating the effect of alcohol on the structure of a membrane

M. Kranenburg and B. Smit, Simulating the effect of alcohol on the structure of a membrane FEBS Lett. 568 (1-3), 15 (2004) http://dx.doi.org/10.1016/j.febslet.…

Simulating Induced Interdigitation in Membranes

M. Kranenburg, M. Vlaar, and B. Smit, Simulating Induced Interdigitation in Membranes Biophys. J.. 87, 1596 (2004) http://dx.doi.org/10.1529/biophysj.104.045005

Alkane hydrocracking: shape selectivity or kinetics?

T. L. M. Maesen, S. Calero, M. Schenk, and B. Smit, Alkane hydrocracking: shape selectivity or kinetics? J. Catal. 221 (1), 241 (2004) http://dx.doi.org/10.1016/…

Molecular simulations of adsorption isotherms of small alkanes in FER-, TON-, MTW- and DON-type zeolites

J. M. B. Ndjaka, G. Zwanenburg, B. Smit, and M. Schenk, Molecular simulations of adsorption isotherms of small alkanes in FER-, TON-, MTW- and DON-type zeolites

Simulating the effect of surfactant structure on bending moduli of monolayers

L. Rekvig, B. Hafskjold, and B. Smit, Simulating the effect of surfactant structure on bending moduli of monolayers J. Chem. Phys. 120 (10), 4897 (2004) http://…

Chain Length Dependencies of the Bending Modulus of Surfactant Monolayers

L. Rekvig, B. Hafskjold, and B. Smit, Chain Length Dependencies of the Bending Modulus of Surfactant Monolayers Phys. Rev. Lett.. 92 (11), art. no:116101 (2004)

Molecular simulations of surface forces and film rupture in oil/water/surfactant systems

L. Rekvig, B. Hafskjold, and B. Smit, Molecular simulations of surface forces and film rupture in oil/water/surfactant systems Langmuir 20 (26), 11583 (2004) http://…

Adsorption phenomena in microporous materials

B. Smit, "Adsorption phenomena in microporous materials" in Computer Modelling of Microporous Materials, edited by C. R. A. Catlow, R. A. van Santen, and B. Smit (…

A molecular mechanism of hysteresis in clay swelling

T. J. Tambach, P. G. Bolhuis, and B. Smit, A molecular mechanism of hysteresis in clay swelling Angew. Chem.-Int. Edit. 43 (20), 2650 (2004) http://dx.doi.org/…

Molecular simulations of swelling clay minerals

T. J. Tambach, E. J. M. Hensen, and B. Smit, Molecular simulations of swelling clay minerals J. Phys. Chem. B 108 (23), 7586 (2004) http://dx.doi.org/10.1021/jp049799h


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