Showing results (1-10 of 10) with videos related to
Sort By:
Pageof 1
The Journal of Chemical Physics|July 21, 2007
On the exchange-hole model of London dispersion forcesJános G AngyánThe Journal of Chemical Physics|April 20, 2005
Geometry optimization of periodic systems using internal coordinatesTomás Bucko, Jürgen Hafner, János G AngyánThe Journal of Chemical Physics|October 26, 2010
On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressionsGeorg Jansen, Ru-Fen Liu, János G AngyánThe Journal of Chemical Physics|July 2, 2010
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactionsWuming Zhu, Julien Toulouse, Andreas Savin, et al.The Journal of Physical Chemistry. A|August 2, 2011
Ab initio study of structure and interconversion of native cellulose phasesTomás Bucko, Daniel Tunega, János G Angyán, et al.The Journal of Chemical Physics|August 11, 2007
Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solidsIann C Gerber, János G Angyán, Martijn Marsman, et al.Physical Review Letters|April 28, 2009
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separationJulien Toulouse, Iann C Gerber, Georg Jansen, et al.Chirality|May 2, 2002
Theoretical CD spectrum calculations of the crown-ether aralkyl-ammonium salt complexArmand Lázár, János G Angyán, Miklós Hollósi, et al.Journal of Computational Chemistry|April 30, 2003
OPEP: a tool for the optimal partitioning of electric propertiesJános G Angyán, Christophe Chipot, François Dehez, et al.The Journal of Physical Chemistry. A|November 2, 2011
Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density modelEmmanuel Aubert, Sébastien Lebègue, Martijn Marsman, et al.Pageof 1