Computer-Chemie-Centrum

Ab initio models for six-center multiple proton exchange and ion pair formation assisted by Lewis acids (2000) van Eikema Hommes N, Heidrich D, Schleyer P Journal article Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues (2000) Chen Z, Jiao H, Hirsch A, Thiel W Journal article, Original article P_6_ and P_3_ Cymantrene: Consequences of the Inclusion of Phosphorus Atoms in Mn-Coordinated Cyclopentadienyl Ligands (2000) Zenneck U, Clark T, Elvers A, Heinemann FW, Hennemann M, Zeller M Journal article sigma*-aromaticity in three-membered rings (2000) Göller AH, Clark T Journal article P-6 manganocene and P-3 cymantrene: Consequences of the inclusion of phosphorus atoms in Mn-coordinated cyclopentadienyl ligands (2000) Clark T, Hennemann M, Zenneck U Journal article Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true (2000) Puchta R, van Eikema Hommes N, Seitz V, Saalfrank R Journal article Spherical aromaticity in I(h) symmetrical fullerenes: The 2(N+1)2 rule (2000) Hirsch A, Chen Z, Jiao H Journal article, Original article Water exchange reactions and hydrolysis of hydrated titanium(III) ions. A density functional theory study (1999) Hartmann M, Clark T, van Eldik R Journal article Accurate parametrized variational calculations of the molecular electronic polarizability by NDDO-based methods (1999) Schürer G, Gedeck P, Gottschalk M, Clark T Journal article Cation-mediated, substituent-controlled, C-2-C-7 cycloaromatization of an enyne-allene (1999) Saalfrank RW, Haubner M, Deutscher C, Bauer W, Clark T Journal article