Project 70083

Simulation studies of ionic liquids

Contact	Prof. Othmar Steinhauser Dr. Christian Schröder
Institute	Computational Biological Chemistry Faculty of Chemistry University of Vienna
E-mail	os@mdy.univie.ac.at christian@mdy.univie.ac.at
Software	CHARMM, AMBER und NAMD
Homepage	http://www.mdy.univie.ac.at/en/index.html
Reports (PDF)	2010

Using fit functions in computational dielectric spectroscopy, Christian Schröder and Othmar Steinhauser, THE JOURNAL OF CHEMICAL PHYSICS 132, 244109 (2010)
Simulating polarizable molecular ionic liquids with Drude oscillators, Christian Schröder and Othmar Steinhauser, THE JOURNAL OF CHEMICAL PHYSICS 133, 154511 (2010)
Solvation Studies of a Zinc Finger Protein in Hydrated Ionic Liquids, Michael Haberler, Christian Schröder and Othmar Steinhauser