Lehrstuhl für Theoretische Chemie

Nucleation Mechanisms of a Polymorphic Molecular Crystal: Solvent-Dependent Structural Evolution of Benzamide Aggregates (2014) Ectors P, Duchstein P, Zahn D Journal article Shearing in a biomimetic apatite-protein composite: Molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms (2014) Zahn D, Bitzek E Journal article, Original article Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells (2014) Feihl S, Costa RD, Brenner W, Margraf J, Casillas Pacheco R, Langmar O, Browa A, et al. Journal article HCN exchange on [Cu(HCN)(4)](+): a quantum chemical investigation (2014) Alzoubi B, Weber I, Walther M, van Eikema Hommes N, Puchta R, van Eldik R Journal article Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals corrections (2014) Görling A, Bleiziffer P, Vines Solana F, Hieringer W, Gebhardt J Journal article, Original article Combined photoemission and scanning tunneling microscopy study of the surface-assisted ullmann coupling reaction (2014) Chen M, Xiao J, Steinrück HP, Wang S, Wang W, Lin N, Hieringer W, Gottfried JM Journal article, Original article STXM goes 3D: Digital reconstruction of focal stacks as novel approach towards confocal soft x-ray microscopy (2014) Späth A, Schöll S, Riess C, Schmidtel D, Paradossi G, Raabe J, Hornegger J, Fink R Journal article, Original article Fullerene Van der Waals Oligomers as Electron Traps (2014) Shubina T, Sharapa D, Schubert C, Zahn D, Halik M, Keller PA, Pyne SG, et al. Journal article, Report Quantum-dot-sensitized solar cells: Understanding linker molecules through theory and experiment (2013) Margraf J, Ruland A, Sgobba V, Guldi DM, Clark T Journal article Structure and interactions in benzamide molecular crystals (2013) Ectors P, Ectors D, Zahn D Journal article