Computer-Chemie-Centrum (CCC)

Fast long-range adiabatic electron transfer in a model polyglycine alpha-helix (1999) Herz T, Gedeck P, Clark T Journal article Heterogeneous photocatalysis, part XIX - Semiconductor type A photocatalysis: Role of substrate adsorption and the nature of photoreactive surface sites in zinc sulfide catalyzed C-C coupling reactions (1999) Roth H, Clark T, Kisch H Journal article A semiempirical QM/MM implementation and its application to the absorption of organic molecules in zeolites (1999) Clark T, Alex A, Beck B, Gedeck P, Lanig H Journal article Conformational Analysis of Tetracycline using Molecular Mechanical and Semiempirical MO-Calculations (1999) Lanig H, Clark T, Gottschalk M, Schneider S Journal article Measurements of Solid Concentration in a Downward Vertical Gas-Solid Flow (1999) Wirth KE, Schiewe T, Molerus O, Sharma A, Cheng J, Tuzla K Journal article Modern molecular mechanics and ab initio calculations on benzylic and cyclic delocalized cations (1998) Clark T, Schleyer P Journal article Enhanced 3D-databases: A fully electrostatic database of AM1-optimized structures (1998) Beck B, Horn A, Clark T Journal article The Journal of Molecular Modeling: Impact, expectations and experience (1998) Clark T, Roth H Journal article Novel nine-membered titanaheterocycles - Structure, ab initio calculations, and preparative use towards the selective synthesis of substituted cyclopentanols (1998) Hampel F, van Eikema Hommes N, Hoops S, Maaref F, Schobert R Journal article Semiempirical QM/MM techniques (1998) Clark T Journal article