Download COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design
COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design book by Andreas Klamt pdf download. is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria.In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations ofthe individual compounds in the mixture.
In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification.
- The only book currently available on COSMO-RS technique
- Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics
- Includes illustrative examples of the COSMOtherm software
eBook details
- Author (s): Andreas Klamt
- Year of publication: 2005
- Publisher: Elsevier Science
- Language: English
- ISBN: 0444519947, 9780444519948
- Number of pages: 226 pages
- Book format: PDF
- File size: 8 MB
