Understanding the loading dependence of self-diffusion in carbon nanotubes
Jakobtorweihen, S, Verbeek, M G, Lowe, C P, Keil, F J, Smit, B
Published in Physical review letters (22.07.2005)
Published in Physical review letters (22.07.2005)
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Journal Article
Temperature and Size Effects on Diffusion in Carbon Nanotubes
Jakobtorweihen, S, Keil, F. J, Smit, B
Published in The journal of physical chemistry. B (24.08.2006)
Published in The journal of physical chemistry. B (24.08.2006)
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Journal Article
A novel algorithm to model the influence of host lattice flexibility in molecular dynamics simulations: loading dependence of self-diffusion in carbon nanotubes
Jakobtorweihen, S, Lowe, C P, Keil, F J, Smit, B
Published in The Journal of chemical physics (21.04.2006)
Published in The Journal of chemical physics (21.04.2006)
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Journal Article
Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic
Jakobtorweihen, S, Zuniga, A Chaides, Ingram, T, Gerlach, T, Keil, F J, Smirnova, I
Published in The Journal of chemical physics (28.07.2014)
Published in The Journal of chemical physics (28.07.2014)
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Journal Article
Hexane Cracking on ZSM‑5 and Faujasite Zeolites: a QM/MM/QCT Study
Tranca, D. C, Zimmerman, P. M, Gomes, J, Lambrecht, D, Keil, F. J, Head-Gordon, M, Bell, A. T
Published in Journal of physical chemistry. C (31.12.2015)
Published in Journal of physical chemistry. C (31.12.2015)
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Journal Article
Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach
Hansen, N, Krishna, R, van Baten, J. M, Bell, A. T, Keil, F. J
Published in Journal of physical chemistry. C (08.01.2009)
Published in Journal of physical chemistry. C (08.01.2009)
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Journal Article
In-Depth Study of the Influence of Host−Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems
Zimmermann, N. E. R, Jakobtorweihen, S, Beerdsen, E, Smit, B, Keil, F. J
Published in Journal of physical chemistry. C (22.11.2007)
Published in Journal of physical chemistry. C (22.11.2007)
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Journal Article
Influences of heat transport on the determination of reaction rates using the temperature scanning plug flow reactor
Kolkowski, M., Malachowski, J., J. Keil, F., Liebner, C., Wolf, D., Baerns, M.
Published in Chemical engineering science (2003)
Published in Chemical engineering science (2003)
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