Computer-Chemie-Centrum

Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach (2008) Puchta R, Dahlenburg L, Clark T Journal article, Original article Monitoring biological membrane-potential changes: A CI QM/MM study (2008) Rusu CF, Lanig H, Othersen O, Kryschi C, Clark T Journal article, Original article Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations (2008) Haberl F, Othersen O, Seidel U, Lanig H, Clark T Book chapter / Article in edited volumes Evidence for an enol mechanism in a highly enantioselective Mannich-Type reaction catalyzed by primary amine-thiourea (2008) Yalalov DA, Tsogoeva S, Shubina T, Martynova IM, Clark T Journal article Experimental determination of the gas phase proton affinities of the conjugate base anions of 2-iodoxybenzoic acid (IBX) and 2-iodosobenzoic acid (IBA) (2008) Waters T, Boulton J, Clark T, Gallen MJ, Williams CM, O'Hair RAJ Journal article Diastereoselective routes to [amino{σ(P):η6-(ansa- phosphinite)benzene} chlororuthenium(II)] PF6 Salts: Kinetic versus thermodynamic preferences (2008) Weber I, Heinemann FW, Bauer W, Superchi S, Zahl A, Richter D, Zenneck U Journal article, Original article sigma-hole bonding: molecules containing group VI atoms (2007) Clark T Journal article Similarity studies of DNA sequences using genetic methods (2007) Bielinska-Waz DJ, Waz P, Clark T Journal article AM1*parameters for copper and zinc (2007) Kayi H, Clark T Journal article Molecular surfaces, QSAR, QSPR and reactivity (2007) Clark T Other publication type