Computer-Chemie-Centrum (CCC)

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 Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarification (2017) Clark T Journal article Halogen bonds and sigma-holes (2017) Clark T Journal article The hpCADD NDDO Hamiltonian: Parametrization (2017) Thomas HB, Hennemann M, Kibies P, Hoffgaard F, Guessregen S, Hessler G, Kast SM, Clark T Journal article Differences between G-Protein-Stabilized Agonist-GPCR Complexes and their Nanobody-Stabilized Equivalents (2017) Saleh N, Ibrahim P, Clark T Journal article Radical Arylation of Anilines and Pyrroles via Aryldiazotates (2017) Hofmann J, Gans E, Clark T, Heinrich M Journal article On the feasibility of reactions through the fullerene wall: a theoretical study of NHx(SIC)C-60 (2017) Dral P, Clark T Journal article Charge-Gating Dibenzothiophene-S,S-dioxide Bridges in Electron Donor-Bridge-Acceptor Conjugates (2017) Yzambart G, Zieleniewska A, Bauroth S, Clark T, Bryce MR, Guldi DM Journal article