Lehrstuhl für Theoretische Chemie

Conformational flexibility of metalloporphyrins studied by density-functional calculations (2008) Wölfle T, Hieringer W, Görling A Journal article, Original article A combined density-functional and IRAS study on the interaction of NO with Pd nanoparticles: Identifying new adsorption sites with novel properties (2008) Vines Solana F, Desikusumastuti A, Staudt T, Görling A, Libuda J, Neyman KM Journal article, Original article Numerically stable optimized effective potential method with balanced Gaussian basis sets (2007) Heßelmann A, Götz A, Della Sala F, Görling A Journal article, Original article Phase-Preserving 2R-Regeneration of an 80-Gb/s {RZ-DQPSK}, Signal by Using a Nonlinear Amplifying Loop Mirror (2007) Cvecek K, Sponsel K, Stephan C, Ludwig R, Schubert C, Onishchukov G, Schmauß B, Leuchs G Conference contribution Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets (2007) Tew DP, Klopper W, Neiß C, Haettig C Journal article, Original article Synthesis, characterization and quantum mechanical calculations of [Au 18Se8(dppthph)6]Cl2 (2007) Neiß C Journal article, Original article Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model (2007) Neiß C Journal article, Original article General treatment of the singularities in Hartree-Fock and exact-exchange Kohn-Sham methods for solids (2007) Carrier P, Rohra S, Görling A Journal article, Original article Spin-orbit interactions and spin-currents from an exact-exchange Kohn-Sham method (2006) Rohra S, Engel E, Görling A Journal article, Note Exact-exchange methods and perturbation theory along the adiabatic connection (2006) Görling A Authored book, Volume of book series