Showing results (51-60 of 99) with videos related to
Sort By:
Pageof 10
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.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.Pageof 10