Lehrstuhl für Theoretische Chemie

Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state (2008) Lechtken A, Neiß C, Stairs J, Schooss D Journal article, Original article Modeling of the Diffusion and Activation of Arsenic in Silicon Including Clustering and Precipitation (2008) Martinez Limia A, Pichler P, Steen C, Paul S, Lerch W Conference contribution Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum] (2008) Tew DP, Klopper W, Neiß C, Haettig C Journal article, Note Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation (2008) Weimer M, Della Sala F, Görling A Journal article, Original article Energetics of the all-trans -→ 13-cis isomerization of the retinal chromophore of bacteriorhodopsin: Electronic structure calculations for a simple model system (2008) Woywod C, Vallet V, Li J, Görling A Conference contribution, Conference Contribution 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