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Physical Review Letters|November 5, 2004
Optimization of effective atom centered potentials for london dispersion forces in density functional theoryO Anatole von Lilienfeld, Ivano Tavernelli, Ursula Rothlisberger, et al.The Journal of Chemical Physics|January 11, 2005
Variational optimization of effective atom centered potentials for molecular propertiesO Anatole von Lilienfeld, Ivano Tavernelli, Ursula Rothlisberger, et al.The Journal of Physical Chemistry. B|May 15, 2010
Solvation of small disulfonate anions in water/methanol mixtures characterized by high-field pulse electron nuclear double resonance and molecular dynamics simulationsJeannine Heller, Hossam Elgabarty, Bilin Zhuang, et al.Journal of the American Chemical Society|July 20, 2006
From armchair to zigzag peripheries in nanographenesMarcel Kastler, Jochen Schmidt, Wojciech Pisula, et al.Physical Chemistry Chemical Physics : PCCP|August 30, 2013
First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopyHossam Elgabarty, Milian Wolff, Adrian Glaubitz, et al.The Journal of Physical Chemistry. B|May 10, 2018
H-Aggregation Effects between π-Conjugated Chromophores in Cofacial Dimers and Trimers: Comparison of Theory and Single-Molecule ExperimentChristoph Allolio, Thomas Stangl, Theresa Eder, et al.The Journal of Physical Chemistry. B|April 27, 2007
NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulationsSittipong Komin, Christian Gossens, Ivano Tavernelli, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 15, 2018
The Conformational Ensemble of Polyglutamine-14 Chains: Specific Influences of Solubility Tail and ChromophoresSvetlana Pylaeva, Arne Böker, Hossam Elgabarty, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 5, 2024
Reverse Mapping of Coarse Grained Polyglutamine Conformations from PRIME20 SamplingThomas Kunze, Christian Dreßler, Christian Lauer, et al.Journal of Vascular and Interventional Radiology : JVIR|October 7, 2004
SMART stent for salvage of hemodialysis access graftsPatrick Michael Vogel, Carol ParisePageof 24