Computer-Chemie-Centrum

Synthesis and density functional theory studies of azirinyl and oxiranyl functionalized isoindigo and (3Z,3′Z)-3,3′-(ethane-1,2-diylidene)bis(indolin-2-one) derivatives (2019) Khalili G, McCosker PM, Clark T, Keller PA Journal article Universal Activation Index for Class A GPCRs (2019) Ibrahim P, Wifling D, Clark T Journal article Chromophore Multiplication To Enable Exciton Delocalization and Triplet Diffusion Following Singlet Fission in Tetrameric Pentacene (2019) Hetzer C, Basel B, Kopp SM, Hampel F, White FJ, Clark T, Guldi DM, Tykwinski RR Journal article Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O (2019) Clark T, Heske J, Kühne TD Journal article Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (Journal of Molecular Modeling, (2019), 25, 6, (156), 10.1007/s00894-019-4038-z) (2019) Kriebel M, Heßelmann A, Hennemann M, Clark T Journal article, Erratum The quest for a triplet ground-state alkene: Highly twisted C═C double bonds (2019) Wu JI, van Eikema Hommes N, Lenoir D, Bachrach SM Journal article What molecular dynamics simulations tell us about GPCRs (2019) Clark T, Ibrahim P Conference contribution Tuning electron transfer in supramolecular nano-architectures made of fullerenes and porphyrins (2019) Wang B, Bauroth S, Saha A, Chen M, Clark T, Lu X, Guldi DM Journal article The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (2019) Kriebel M, Heßelmann A, Hennemann M, Clark T Journal article Interaction of Radicals with σ-Holes (2019) Clark T Journal article