Computer-Chemie-Centrum

The use of quantum mechanics for QSPR and QSAR models with error estimation (1999) Clark T, Beck B, Breindl A, Hennemann M Journal article 3D-QSAR OF D4-antagonists based on full conformational searches and quantum mechanically derived descriptors (1999) Hennemann M, Clark T, Lanig H Journal article Vector and tensor pharmacophores from quantum mechanical calculations (1999) Clark T, Hennemann M, Martin B Journal article 3D information-rich databases derived from quantum mechanical calculations (1999) Beck B, Clark T, Horn A Journal article Quantum mechanical estimation of pK(hb) (1999) Hennemann M, Clark T Journal article 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