Computer-Chemie-Centrum

Can bridged 1,6-X-[10]annulenes (X = SiH2, SiMe2, PH, and S) exist? (2002) Jiao H, van Eikema Hommes N, Schleyer P Journal article Nature of the interaction of paramagnetic atoms (A=N-4,P-4,O-3,S-3) with pi systems and C-60: A theoretical investigation of A center dot center dot center dot C6H6 and endohedral fullerenes A@C-60 (2002) Clark T Journal article Intramolecular Reactivity of Pi-Coordinated P-Heterocycles: How to Form Five-Membered Rings out of Phosphaalkynes (2002) Clark T, Binger P, Heinemann FW, Hennemann M, Pritzkow H, Toepffer C, Zenneck U Journal article Ionized bicyclo[2.2.2]oct-2-ene: A twisted olefinic radical cation showing vibronic coupling (2002) Clark T Journal article A domino aldol addition/hemiketal formation/hemiketal formation/epimerization route to a heteroadamantane. A crystal-structure, NMR, and computational study (2002) Glaser H, Puchta R, van Eikema Hommes N, Leusser D, Murso A, Stalke D, Bauer W, Saalfrank R Journal article 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