Computer-Chemie-Centrum

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 Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors (2014) Leitherer S, Jäger C, Halik M, Clark T, Thoss M Journal article, Report EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations (2014) Hennemann M, Clark T Journal article Carbon Nanodots: Toward a Comprehensive Understanding of Their Photoluminescence (2014) Strauß V, Margraf J, Dolle C, Butz B, Nacken T, Walter J, Bauer W, et al. Journal 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 Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths (2013) El Kerdawy A, Tautermann CS, Clark T, Fox T Journal article Objective models for ligand binding characteristics from quantum mechanics (2013) Clark T Other publication type Quantum Mechanics-Based Properties for 3D-QSAR (2013) El Kerdawy A, Güssregen S, Matter H, Hennemann M, Clark T Journal article