Computer-Chemie-Centrum

A water-soluble, bay-functionalized perylenediimide derivative - correlating aggregation and excited state dynamics (2018) Dirian K, Bauroth S, Roth AM, Syrgiannis Z, Rigodanza F, Burian M, Amenitsch H, et al. Journal article 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes (2018) Fritsch N, Wick C, Waidmann T, Pflock S, Dral P, Tucher J, Steiner C, et al. Journal article Prediction of Physicochemical Properties of Compounds (2018) Tetkor IV, Yan A, Gasteiger J Book chapter / Article in edited volumes From bismuth oxide/hydroxide precursor clusters towards stable oxides: Proton transfer reactions and structural reorganization govern the stability of [Bi18 O13 (OH)10]-nitrate clusters (2018) Walther M, Zahn D Journal article Molecular mechanisms of biased and probe-dependent signaling at CXC-motif chemokine receptor CXCR3 induced by negative allosteric modulators (2018) Brox R, Milanos L, Saleh N, Baumeister P, Buschauer A, Hofmann D, Heinrich M, et al. Journal article, Original article The sigma-hole revisited (2017) Politzer P, Murray JS, Clark T, Resnati G Journal article Mediating Reductive Charge Shift Reactions in Electron Transport Chains (2017) Wolf M, Villegas C, Trukhina O, Delgado JL, Torres T, Martin N, Clark T, Guldi DM Journal article Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the External Potential (2017) Kriebel M, Sharapa D, Clark T Journal article Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions (2017) Leitherer S, Jager CM, Krause A, Halik M, Clark T, Thoss M Journal article Odd-Electron Bonds (2017) Clark T Journal article