Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (239)
Transient and steady state CO oxidation kinetics on nanolithographically prepared supported Pd model catalysts: Experiments and simulations (2005)
Libuda J
Journal article
Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles (2005)
Wang YH, Halik M, Wang CK, Marder SR, Luo Y
Journal article, Report
Orbital- and state-dependent functionals in density-functional theory (2005)
Görling A
Journal article, Original article
Local reaction rates and surface diffusion on nanolithographically prepared model catalysts: Experiments and simulations (2005)
Libuda J
Journal article
Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states (2005)
Vitale V, Della Sala F, Görling A
Journal article, Original article
Kinetics of the CO oxidation reaction on Pt(111) studied by in situ high-resolution x-ray photoelectron spectroscopy (2004)
Kinne M, Fuhrmann T, Zhu J, Whelan C, Denecke R, Steinrück HP
Journal article
The effects of oxygenation on the optical properties of dimethyl-dithienothiophenes: Comparison between experiments and first-principles calculations (2004)
Reganato M, Vitale V, Della Sala F, Anni M, Cingolani R, Gigli G, Favaretto L, et al.
Journal article, Original article
Open-shell localized Hartree-Fock approach for an efficient effective exact-exchange Kohn-Sham treatment of open-shell atoms and molecules (2003)
Della Sala F, Görling A
Journal article, Original article
Advantages and limitations of Kohn-Sham orbitals as single electron basis for multireference configuration interaction and multireference perturbation theory (2003)
Hupp T, Engels B, Görling A
Journal article, Original article
The thermal chemistry of saturated layers of acetylene and ethylene on Ni(100) studied by in situ synchrotron x-ray photoelectron spectroscopy (2003)
Neubauer R, Whelan C, Denecke R, Steinrück HP
Journal article