Computer-Chemie-Centrum (CCC)

Quantum Mechanics-Based Properties for 3D-QSAR (2013) El Kerdawy A, Güssregen S, Matter H, Hennemann M, Clark T Journal article Active-State Models of Ternary GPCR Complexes: Determinants of Selective Receptor-G-Protein Coupling (2013) Kling R, Lanig H, Clark T, Gmeiner P Journal article, Original article Statistical properties of spectra of chloronaphthalenes (2013) Bielinska-Waz D, Waz P, Clark T, Puzyn T, Peplowski L, Nowak W Journal article Mechanistic studies on water-exchange reactions in [Zn(H2O) 4L]2+·2H2O for L = sp2, sp3 oxygen-donor ligands: A DFT approach (2013) Alzoubi B, Walther M, Puchta R, van Eldik R Journal article Analysis of the molecular interactions governing the polymorphism of benzamide -- a guide to syntheses? (2013) Ectors P, Zahn D Journal article Blending Through-Space and Through-Bond π-π-Coupling in [2,2']-Paracyclophane-oligophenylenevinylene Molecular Wires (2013) Wielopolski M, Molina-Ontoria A, Schubert C, Margraf J, Krokos E, Kirschner J, Gouloumis A, et al. Journal article On the Function of Saccharides during the Nucleation of Calcium Carbonate--Protein Biocomposites (2013) Duchstein P, Kniep R, Zahn D Journal article Halogen bonding and other sigma-hole interactions: a perspective (2013) Politzer P, Murray JS, Clark T Journal article Direct Detection of a Persistent Carbonyloxyl Radical in the Gas Phase (2013) Poad BLJ, Kirk BB, Hettiarachchi PI, Trevitt AJ, Blanksby SJ, Clark T Journal article Probing charge transfer in benzodifuran-C60 dumbbell-type electron donor-acceptor conjugates: Ground- and excited-state assays (2013) Li H, Schubert C, Dral P, Costa RD, La Rosa A, Thüring J, Liu SX, et al. Journal article, Original article