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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|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 Computational Chemistry|February 18, 2017
Conformational Space of a Polyphilic Molecule with a Fluorophilic Side Chain Integrated in a DPPC BilayerGuido F von Rudorff, Tobias Watermann, Xiang-Yang Guo, et al.The Journal of Physical Chemistry Letters|April 27, 2017
Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating SolidsSvetlana Pylaeva, Konstantin L Ivanov, Marc Baldus, et al.Molecules (Basel, Switzerland)|August 5, 2020
Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic AnionsMartin Brehm, Julian Radicke, Martin Pulst, et al.The Journal of Chemical Physics|August 24, 2015
Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave functionArne Scherrer, Federica Agostini, Daniel Sebastiani, et al.Physical Chemistry Chemical Physics : PCCP|April 29, 2014
Competition between excited state proton and OH(-) transport via a short water wire: solvent effects open the gateGül Bekçioğlu, Christoph Allolio, Maria Ekimova, et al.RSC Advances|September 20, 2023
Characterization of sulfur/carbon copolymer cathodes for Li-S batteries: a combined experimental and <i>ab initio</i> Raman spectroscopy studyRana Kiani, Matthias Steimecke, Marah Alqaisi, et al.Pageof 10