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The Journal of Physical Chemistry. B|August 18, 2006
Temperature and size effects on diffusion in carbon nanotubesS Jakobtorweihen, F J Keil, B SmitThe Journal of Chemical Physics|July 21, 2007
Diffusion of chain molecules and mixtures in carbon nanotubes: the effect of host lattice flexibility and theory of diffusion in the Knudsen regimeS Jakobtorweihen, C P Lowe, F J Keil, et al.The Journal of Chemical Physics|May 6, 2006
A novel algorithm to model the influence of host lattice flexibility in molecular dynamics simulations: loading dependence of self-diffusion in carbon nanotubesS Jakobtorweihen, C P Lowe, F J Keil, et al.Physical Review Letters|August 11, 2005
Understanding the loading dependence of self-diffusion in carbon nanotubesS Jakobtorweihen, M G Verbeek, C P Lowe, et al.The Journal of Chemical Physics|December 21, 2006
Combining reactive and configurational-bias Monte Carlo: confinement influence on the propene metathesis reaction system in various zeolitesS Jakobtorweihen, N Hansen, F J KeilThe Journal of Chemical Physics|August 3, 2014
Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmicS Jakobtorweihen, A Chaides Zuniga, T Ingram, et al.Journal of Chemical Theory and Computation|November 18, 2015
Molecular Modeling of Triton X Micelles: Force Field Parameters, Self-Assembly, and Partition EquilibriaD Yordanova, I Smirnova, S JakobtorweihenTopics in Current Chemistry|April 21, 2011
Multiscale modelling in computational heterogeneous catalysisF J KeilLangmuir : the ACS Journal of Surfaces and Colloids|October 3, 2017
Micellization and Partition Equilibria in Mixed Nonionic/Ionic Micellar Systems: Predictions with Molecular ModelsD Yordanova, E Ritter, I Smirnova, et al.The Journal of Chemical Physics|March 17, 2011
First-principles investigation of the adsorption of the 2,5-pyridine di-carboxylic acid onto the Cu(011) surfaceD C Tranca, F J KeilPageof 50