COSMO-RS is a rather universal theory to accurately predict a wide range of properties in complex liquid mixtures: (partial) vapor pressures, activities, solubilities of gases, liquids and solids, partition in arbitrary phases, phase behavior VLE/LLE, pKa and many more.
Our software COSMOtherm features state of the art COSMO-RS, an easy to use GUI and batch processing capabilities. In industry COSMOtherm already proved to slim processes and shorten development times in typical applications like solvent or additive selection, formulation and compound design. ... more
Quantum chemical calculations are indispensable for researchers worldwide. The accurate prediction of properties like conformational energies, cluster structures, excited states, transition states and dipoles are used in a broad variety of applications.
TURBOMOLE is our fast and reliable quantum chemistry package, already used to optimize and deliver the best catalysts for chemical reactions, understand and improve organic light emitting diodes (OLEDs) or predict spectra as general aid to compound synthesis and analytical tasks. ... more