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Chemsuschem|June 20, 2018
Preface to Special Issue of ChemSusChem on Interfacing Experiment and Theory in the Development of Energy Storage and DevicesMartin Korth, Andrea BalducciJournal of Chemical Information and Modeling|July 19, 2011
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectoriesMartin Brehm, Barbara KirchnerThe Journal of Physical Chemistry. A|August 19, 2008
Validation of dispersion-corrected density functional theory approaches for ionic liquid systemsStefan Zahn, Barbara KirchnerJournal of the American Chemical Society|June 16, 2005
Understanding the template preorganization step of an artificial arginine receptorBarbara Kirchner, Markus ReiherThe Journal of Chemical Physics|September 2, 2021
Molecular level insight into the solvation of cellulose in deep eutectic solventsVahideh Alizadeh, Barbara KirchnerThe Journal of Physical Chemistry Letters|January 16, 2016
Classical Magnetic Dipole Moments for the Simulation of Vibrational Circular Dichroism by ab Initio Molecular DynamicsMartin Thomas, Barbara KirchnerJournal of the American Chemical Society|May 23, 2002
The secret of dimethyl sulfoxide-water mixtures. A quantum chemical study of 1DMSO-nwater clustersBarbara Kirchner, Markus ReiherThe Journal of Physical Chemistry. A|March 24, 2006
Hydrogen bond detectionJens Thar, Barbara KirchnerThe Journal of Chemical Physics|September 9, 2004
Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixtureBarbara Kirchner, Jürg HutterThe Journal of Physical Chemistry. B|February 17, 2016
Complex Structural and Dynamical Interplay of Cyano-Based Ionic LiquidsHenry Weber, Barbara KirchnerPageof 55