Computer-Chemie-Centrum (CCC)

Electronic properties and intermolecular binding in drug-like molecules (2009) Clark T Journal article The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings (2009) Wu JI, Pühlhofer FG, Schleyer P, Puchta R, Kiran B, Mauksch M, van Eikema Hommes N, et al. Journal article Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant (2009) Murray JS, Toro-Labbe A, Clark T, Politzer P Journal article Homology Model Adjustment and Ligand Screening with a Pseudoreceptor of the Human Histamine H-4 Receptor (2009) Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, et al. Journal article CypScore: Quantitative Prediction of Reactivity toward Cytochrornes P450 Based on Semiempirical Molecular Orbital Theory (2009) Hennemann M, Friedl A, Lobell M, Keldenich J, Hillisch A, Clark T, Göller AH Journal article The Effect of a Complexed Lithium Cation on a Norcarane-Based Radical Clock (2009) Jäger C, Hennemann M, Clark T Journal article Self-association and electron transfer in donor-acceptor dyads connected by meta-substituted oligomers (2009) Molina-Ontoria A, Fernandez G, Wielopolski M, Atienza C, Sanchez L, Gouloumis A, Clark T, et al. Journal article, Original article Counterions control the self-assembly of structurally persistent micelles: Theoretical prediction and experimental observation of stabilization by sodium ions (2009) Jäger C, Hirsch A, Schade B, Böttcher C, Clark T Journal article, Original article Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical F-Values for Multiple Linear Regression (2009) Kramer C, Tautermann CS, Livingstone DJ, Salt DW, Whitley DC, Beck B, Clark T Journal article Redox Catalysis and Reactivity of Metalloporphyrines (2009) Shubina T, Clark T Authored book