Computer-Chemie-Centrum

[2,2]Paracyclophane-Based π-Conjugated Molecular Wires Reveal Molecular-Junction Behavior (2011) Molina-Ontoria A, Wielopolski M, Gebhardt J, Gouloumis A, Clark T, Guldi DM, Martin N Journal article On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water (2011) Hochrein O, Zahn D Journal article Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration (2011) Beierlein F, Kneale GG, Clark T Journal article AM1* parameters for palladium and silver (2011) Kayi H, Clark T Journal article Vinyl spacers - Tuning electron transfer through fluorene-based molecular wires (2011) Wielopolski M, Santos J, Illescas BM, Ortiz A, Insuasty B, Bauer T, Clark T, et al. Journal article, Original article 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