Forschungsbericht 2010 - Fachbereich Chemie
Forschungsbericht 2010 - Fachbereich Chemie
Forschungsbericht 2010 - Fachbereich Chemie
Sie wollen auch ein ePaper? Erhöhen Sie die Reichweite Ihrer Titel.
YUMPU macht aus Druck-PDFs automatisch weboptimierte ePaper, die Google liebt.
Alaghemandi, M., Leroy, F., Müller-Plathe, F. and Böhm, M.C. (<strong>2010</strong>). Thermal rectification in<br />
nanosized model systems: A molecular dynamics approach. Phys Rev B, 81, 125410(1-12).<br />
Karimi-Varzaneh, H.A., Müller-Plathe, F., Balasubramanian, S. and Carbone, P. (<strong>2010</strong>). Studying<br />
long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained mode. Phys<br />
Chem Chem Phys, 12, 4714–4724.<br />
Heggen, B., Zhao, W., Leroy, F., Dammers, A.J. and Müller-Plathe, F. (<strong>2010</strong>). Interfacial Properties of<br />
an Ionic Liquid by Molecular Dynamics. J Phys Chem B, 114 (20), 6954–6961.<br />
Sarangi, S.S., Zhao, W., Müller-Plathe, F. and Balasubramanian, S. (<strong>2010</strong>). Correlation between<br />
dynamic heterogeneity and local structure in a room-temperature ionic liquid. A molecular dynamics<br />
study of [bmim][PF6]. ChemPhysChem, 11 (9), 2001–<strong>2010</strong>.<br />
Leroy, F. and Müller-Plathe, F. (<strong>2010</strong>). Solid-liquid surface free energy of Lennard-Jones liquid on<br />
smooth and rough surfaces computed by molecular dynamics using the phantom-wall method. J Chem<br />
Phys, 133 (4).<br />
Farah, K., Karimi Varzaneh, H.A., Müller-Plathe, F. and Böhm, M.C. (<strong>2010</strong>). Reactive Molecular<br />
Dynamics with Material-Specific Coarse-Grained Potentials: Growth of Polystyrene Chains from Styrene<br />
Monomers, J Phys Chem B, 114, 13656–13666.<br />
Hülsmann, M., Müller, T.J., Köddermann, T. and Reith, D. (<strong>2010</strong>). Automated Force Field<br />
Optimisation of Small Molecules using a Gradient-Based Workflow Package. Mol Sim, 36, 1182-1196.<br />
Riccardi, E., Wang, J.C. and Liapis, A.L. (<strong>2010</strong>). Molecular Dynamics Modeling and Simulation Study<br />
of the Transport and Adsorption of a Charged Biomolecule onto a Charged Ligand Immobilized in a<br />
Polymeric Adsorbent Medium. J Chem Phys, 133, 084904.<br />
Liapis, A.L., Riccardi, E., Wang, J.C. and Separ, J. (<strong>2010</strong>). Effects on the dynamic utilization of the<br />
adsorptive capacity of chromatographic columns induced by non-uniform ligand density distributions. J<br />
Sep Sci, 33, 2749-2756.<br />
Sonstige:<br />
Leroy, F. (<strong>2010</strong>). Review of the second edition of Principles of Physical Chemistry by H. Kuhn, H.-D.<br />
Försterling and D. H. Waldeck. BUNSEN-MAGAZIN, 4, 149.<br />
9. Veröffentlichungen nach Arbeitsgruppen Seite 35
Change language