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Nature Communications|January 4, 2024
Rydberg electron stabilizes the charge localized state of the diamine cationMarc Reimann, Christoph Kirsch, Daniel Sebastiani, et al.Accounts of Chemical Research|May 26, 2018
Arginine "Magic": Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating PeptidesMario Vazdar, Jan Heyda, Philip E Mason, et al.The Journal of Chemical Physics|June 30, 2007
Proton momentum distribution in water: an open path integral molecular dynamics studyJoseph A Morrone, Varadharajan Srinivasan, Daniel Sebastiani, et al.Physical Chemistry Chemical Physics : PCCP|August 11, 2007
Selectivity of guest-host interactions in self-assembled hydrogen-bonded nanostructures observed by NMRGunther Brunklaus, Achim Koch, Daniel Sebastiani, et al.The Journal of Physical Chemistry. A|April 8, 2017
Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of UnknownsFelix Hoffmann, Da-Wei Li, Daniel Sebastiani, et al.Journal of the American Chemical Society|March 24, 2009
Columnar packing motifs of functionalized perylene derivatives: local molecular order despite long-range disorderMichael Ryan Hansen, Robert Graf, Sivakumar Sekharan, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 24, 2010
Local disorder in hydrogen storage compounds: the case of lithium amide/imideGuillermo A Ludueña, Martin Wegner, Lars Bjålie, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 31, 2006
First principles and experimental 1H NMR signatures of solvated ions: The case of HCl(aq)Tatiana Murakhtina, Jasper Heuft, Evert Jan Meijer, et al.The Journal of Chemical Physics|August 20, 2022
Temperature-dependent dynamics at protein-solvent interfacesMelanie Reuhl, Michael VogelChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 27, 2017
Role of Dynamic Heterogeneities in Ionic Liquids: Insights from All-Atom and Coarse-Grained Molecular Dynamics Simulation StudiesTamisra Pal, Michael VogelPageof 24