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Physical Chemistry Chemical Physics : PCCP|March 7, 2014
Floating orbital molecular dynamics simulationsEva Perlt, Marc Brüssel, Barbara KirchnerThe Journal of Chemical Physics|April 8, 2010
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulationsStefan Zahn, Jens Thar, Barbara KirchnerChemical Communications (Cambridge, England)|May 13, 2010
Tin-lanthanoid donor-acceptor bondsKornelia Zeckert, Stefan Zahn, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|March 2, 2012
Performance of dispersion-corrected density functional theory for the interactions in ionic liquidsStefan Grimme, Waldemar Hujo, Barbara KirchnerChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 21, 2023
Solvent Dependency of Catalyst-Substrate Aggregation Through π-π Stacking in Photoredox CatalysisLuke Wylie, Joshua P Barham, Barbara KirchnerJournal of Solution Chemistry|May 12, 2015
SO<sub>2</sub> Solvation in the 1-Ethyl-3-Methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation-Anion NetworkDzmitry S Firaha, Mikhail Kavalchuk, Barbara KirchnerInorganic Chemistry|December 21, 2005
Theoretical study of catalytic dinitrogen reduction under mild conditionsMarkus Reiher, Boris Le Guennic, Barbara KirchnerThe Journal of Chemical Physics|April 24, 2017
Predicting miscibility of binary liquids from small cluster QCE calculationsJohannes Ingenmey, Michael von Domaros, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|August 4, 2012
The bulk and the gas phase of 1-ethyl-3-methylimidazolium ethylsulfate: dispersion interaction makes the differenceFriedrich Malberg, Alfonso S Pensado, Barbara KirchnerThe Journal of Physical Chemistry. A|November 28, 2006
Frequency analysis of amide-linked rotaxane mimeticsWerner Reckien, Barbara Kirchner, Sigrid D PeyerimhoffPageof 18