On the density matrix based approach to time-dependent density functional response theory von Furche, Filipp

Volltext

Direct photolysis of carbonyl compounds dissolved in cloud and fog~droplets von Epstein, S. A, Tapavicza, E, Furche, F, Nizkorodov, S. A

Volltext

Molecular tests of the random phase approximation to the exchange-correlation energy functional von Furche, Filipp

Volltext

Adiabatic time-dependent density functional methods for excited state properties von Furche, Filipp, Ahlrichs, Reinhart

Volltext

The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry von Furche, Filipp, Perdew, John P

Volltext

Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr von Weigend, Florian, Furche, Filipp, Ahlrichs, Reinhart

Volltext

Fluctuation-dissipation theorem density-functional theory von Furche, Filipp, Van Voorhis, Troy

Volltext

An efficient implementation of second analytical derivatives for density functional methods von Deglmann, Peter, Furche, Filipp, Ahlrichs, Reinhart

Volltext

Photoinduced Intramolecular Charge Transfer in 4-(Dimethyl)aminobenzonitrile − A Theoretical Perspective von Rappoport, Dmitrij, Furche, Filipp

Volltext

Efficient characterization of stationary points on potential energy surfaces von Deglmann, Peter, Furche, Filipp

Volltext

Nuclear second analytical derivative calculations using auxiliary basis set expansions von Deglmann, Peter, May, Klaus, Furche, Filipp, Ahlrichs, Reinhart

Volltext

Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules von Rappoport, Dmitrij, Furche, Filipp

Volltext

The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations von Furche, Filipp, Ahlrichs, Reinhart, Weis, Patrick, Jacob, Christoph, Gilb, Stefan, Bierweiler, Thomas, Kappes, Manfred M.

Volltext

An improved method for density functional calculations of the frequency-dependent optical rotation von Grimme, Stefan, Furche, Filipp, Ahlrichs, Reinhart

Volltext

Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons von MAY, Klaus, DAPPRICH, Stefan, FURCHE, Filipp, UNTERREINER, Barbara V, AHLRICHS, Reinhart

Volltext

Circular Dichroism of Helicenes Investigated by Time-Dependent Density Functional Theory von Furche, Filipp, Ahlrichs, Reinhart, Wachsmann, Claudia, Weber, Edwin, Sobanski, Adam, Vögtle, Fritz, Grimme, Stefan

Volltext

Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles von Muuronen, M, Parker, SM, Berardo, E, Le, A, Zwijnenburg, MA, Furche, F

Volltext

Absolute Configuration of D 2 -Symmetric Fullerene C 84 von Furche, Filipp, Ahlrichs, Reinhart

Volltext

Comment on “Assessment of exchange correlation functionals” [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160–166] von Ahlrichs, Reinhart, Furche, Filipp, Grimme, Stefan

Volltext

Photoelectron Spectroscopy of C 84 Dianions von Ehrler, Oli T., Weber, J. Mathias, Furche, Filipp, Kappes, Manfred M.

Volltext