Your search returned 9 results.

Results
	1.	Kinetic aspects of the thermostatted growth of ice from supercooled water in simulations. [electronic resource] by Weiss, Volker C Rullich, Markus Köhler, Christof Frauenheim, Thomas Producer: 20111121 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Treatment of collinear and noncollinear electron spin within an approximate density functional based method. [electronic resource] by Köhler, Christof Frauenheim, Thomas Hourahine, Ben Seifert, Gotthard Sternberg, Michael Producer: 20070917 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Proton conductivity of SO3 H-functionalized benzene-periodic mesoporous organosilica. [electronic resource] by Sharifi, Monir Köhler, Christof Tölle, Pia Frauenheim, Thomas Wark, Michael Producer: 20110826 In: Small (Weinheim an der Bergstrasse, Germany) vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Relativistic parametrization of the self-consistent-charge density-functional tight-binding method. 1. Atomic wave functions and energies. [electronic resource] by Witek, Henryk A Köhler, Christof Frauenheim, Thomas Morokuma, Keiji Elstner, Marcus Producer: 20070917 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Proton transport in functionalised additives for PEM fuel cells: contributions from atomistic simulations. [electronic resource] by Tölle, Pia Köhler, Christof Marschall, Roland Sharifi, Monir Wark, Michael Frauenheim, Thomas Producer: 20121101 In: Chemical Society reviews vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Parametrization of the SCC-DFTB Method for Halogens. [electronic resource] by Kubař, Tomáš Bodrog, Zoltán Gaus, Michael Köhler, Christof Aradi, Bálint Frauenheim, Thomas Elstner, Marcus Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	SCC-DFTB parameters for simulating hybrid gold-thiolates compounds. [electronic resource] by Fihey, Arnaud Hettich, Christian Touzeau, Jérémy Maurel, François Perrier, Aurélie Köhler, Christof Aradi, Bálint Frauenheim, Thomas Producer: 20151204 In: Journal of computational chemistry vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Computational studies on polymer adhesion at the surface of gamma-Al2O3. I. The adsorption of adhesive component molecules from the gas phase. [electronic resource] by Knaup, Jan M Köhler, Christof Frauenheim, Thomas Blumenau, Alexander T Amkreutz, Marc Schiffels, Peter Schneider, Bernhard Hennemann, Otto-Diedrich Producer: 20070817 In: The journal of physical chemistry. B vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni. [electronic resource] by Zheng, Guishan Witek, Henryk A Bobadova-Parvanova, Petia Irle, Stephan Musaev, Djamaladdin G Prabhakar, Rajeev Morokuma, Keiji Lundberg, Marcus Elstner, Marcus Köhler, Christof Frauenheim, Thomas Producer: 20151205 In: Journal of chemical theory and computation vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)