COSMOtherm software full license crack download is a widely used versatile software for the prediction of thermodynamic properties in liquid systems. recent studies reveal that it may be used for computational screening of co-crystals. COSMOthermx it is a product of COSMOlogic that a tool for predictive property calculation of liquids and combines quantum chemistry and thermodynamics in a unique fashion.
It calculates the chemical potential of almost any molecule in almost any pure or mixed liquid at variable temperature, i.e. it predicts how happy a molecule is in a certain liquid environment. This is the key for the prediction of a multitude of properties required in industrial applications or academic research, including solubility, partitioning, vapor pressure, and complete phase diagrams. In contrast to several other available methods BIOVIA COSMOtherm is able to predict properties as function of concentration and temperature by applying thermodynamically consistent equations.
COSMO-RS Solvation Chemistry simulations enable chemical engineers, chemists, formulation engineers and materials scientists to research and develop new solutions faster and more efficiently than with test and experimentation alone, thus accelerating innovation and reducing costs.
The quantum chemical charge density descriptors used by COSMOtherm are provided by quantum chemistry. The recommended best quality predictive solutions are achieved by a combination of COSMOtherm with the Turbomole quantum chemistry suite, and the BIOVIA COSMOconf molecular conformation generator, which both can be used from the COSMOtherm graphical user interface in an integrated workflow. As alternative DMOL3 from BIOVIA Materials Studio can be used for the quantum chemistry part. Besides the quantum chemistry packages, BIOVIA COSMObase vast database base of precomputed compounds with conformations optimized for the usage within BIOVIA COSMOtherm is available.
Predictable properties with COSMOtherm
COSMOtherm software detail: