Showing results (1-10 of 27) with videos related to
Sort By:
Pageof 3
Journal of Computational Chemistry|October 8, 2003
Bond energies for molecules, clusters, and deposit systemsKarl Jug, Gerald GeudtnerJournal of Computational Chemistry|February 21, 2025
First Principles Global Optimization Method From Parallel Tempering Molecular DynamicsGerald Geudtner, Andreas M KösterThe Journal of Chemical Physics|September 11, 2012
Magnetizability tensors from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M KösterThe Journal of Chemical Physics|April 5, 2011
NMR shielding tensors from auxiliary density functional theoryBernardo Zuniga-Gutierrez, Gerald Geudtner, Andreas M KösterJournal of Chemical Theory and Computation|November 27, 2015
First-Principle Calculations of Large FullerenesPatrizia Calaminici, Gerald Geudtner, Andreas M KösterJournal of Computational Chemistry|July 21, 2004
Models for the treatment of crystalline solids and surfacesKarl Jug, Thomas BredowJournal of Computational Chemistry|May 15, 2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculationsFlorian Janetzko, Thomas Bredow, Gerald Geudtner, et al.The Journal of Physical Chemistry. A|August 22, 2009
Comparative studies of cation doping of ZnO with Mn, Fe, and CoKarl Jug, Viatcheslav A TikhomirovJournal of Computational Chemistry|May 13, 2006
Anion substitution in zinc chalcogenidesKarl Jug, Viatcheslav A TikhomirovJournal of Computational Chemistry|May 14, 2008
Influence of intrinsic defects on the properties of zinc oxideKarl Jug, Viatcheslav A TikhomirovPageof 3