Computer-Chemie-Centrum (CCC)

Ambiphilicity: A Characteristic Reactivity Principle of Pi-Bound Phosphorus Heterocycles (2002) Clark T, Toepffer C, Heinemann FW, Hennemann M, Zenneck U Journal article Solvation Largely Accounts for the Effect of N-Alkylation on the Properties of Nickel(II/I) and Chromium(III/II) Cyclam Complexes (2002) Clark T, Hennemann M, van Eldik R Journal article Excited state conformational dynamics of semiflexibly bridged electron donor-acceptor systems: a semiempirical CI-study including solvent effects (2002) Clark T, Bleisteiner B, Schneider S Journal article A QSPR-approach to the estimation of the pK(HB) of six-membered nitrogen-heterocycles using quantum mechanically derived descriptors (2002) Hennemann M, Clark T Journal article Spherical homoaromaticity (2002) Chen Z, Jiao H, Hirsch A, Schleyer P Journal article, Original article Oxa- and thia-fullerenes (C59O, C59S): Closed or opened cages? (2002) Jiao H, Chen Z, Hirsch A, Thiel W Journal article, Original article Spherical Aromaticity — An Overview (2002) Chen Z, Hirsch A, Jiao H Book chapter / Article in edited volumes Dissected nucleus-independent chemical shift analysis of pi-aromaticity and antiaromaticity (2001) Schleyer P, Manoharan M, Wang ZX, Kiran B, Jiao H, Puchta R, van Eikema Hommes N Journal article QM/MM studies on bovine lens leucyl aminopeptidase. (2001) Clark T Journal article Chemiinformatics with quantum mechanics. (2001) Clark T Journal article