Computer-Chemie-Centrum (CCC)

Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption (2011) Schmidt NA, Clark T, Urquhart SG, Fink R Journal article, Original article A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations (2011) Beierlein F, Michel J, Essex J Journal article Influence of Electron Doping on the Hydrogenation of Fullerene C60: A Theoretical Investigation (2011) Dral P, Shubina T, Hirsch A, Clark T Journal article, Original article Triazole bridges as versatile linkers in electron donor-acceptor conjugates (2011) De Miguel Rojas G, Wielopolski M, Schuster DI, Fazio MA, Lee OP, Haley CK, Ortiz AL, et al. Journal article, Original article Charge Transport through Molecules: Organic Nanocables for Molecular Electronics (2011) Wielopolski M, Guldi DM, Clark T, Martín N Authored book, other Semiempirical UNO–CAS and UNO–CI: Method and Applications in Nanoelectronics (2011) Dral PO, Clark T Journal article Formation of the Vilsmeier-Haack complex: the performance of different levels of theory (2011) Ozpinar GA, Kaufmann DE, Clark T Journal article Unprecedented triphosphinine iron interactions: Intramolecular electron transfer, reactivity round a corner, and a low-activated ring element exchange reaction (2010) Eggers K, Heinemann FW, Hennemann M, Clark T, Binger P, Zenneck U Journal article Tautomers and reference 3D-structures: the orphans of in silico drug design (2010) Clark T Journal article Can simulations lead experiment? (2010) Clark T Journal article