Lehrstuhl für Theoretische Chemie

Charge distribution analysis in Agn m+ clusters: Molecular modeling and DFT calculations (2014) Milek T, Döpper T, Neiß C, Görling A, Zahn D Journal article, Original article On the energetics of conformational switching of molecules at and close to room temperature (2014) Ditze S, Stark MW, Buchner F, Aichert A, Jux N, Luckas N, Görling A, et al. Journal article, Original article Toward a comprehensive treatment of temperature in electronic structure calculations: Non-zero-temperature Hartree-Fock and exact-exchange Kohn-Sham methods (2014) Schulz H, Görling A Book chapter / Article in edited volumes Fluctuations in surface pH of maturing rat incisor enamel are a result of cycles of H(+)-secretion by ameloblasts and variations in enamel buffer characteristics (2014) Damkier HH, Josephsen K, Takano Y, Zahn D, Fejerskov O, Frische S Journal article A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2$-$ ions during temperature-induced solid--solid phase transitions (2014) Somer M, Schnering HGV, Hochrein O, Zahn D Journal article Synthesis and Characterization of Gelatin-Based Magnetic Hydrogels (2014) Helminger M, Wu B, Kollmann T, Benke D, Schwahn D, Pipich V, Faivre D, et al. Journal article Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure (2014) Milek T, Zahn D Journal article 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