eBook - ePub

COSMO-RS

Name: COSMO-RS
ISBN: 9780080455532

From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design

Andreas Klamt,

246 pages
English
ePUB (mobile friendly)
Available on iOS & Android

eBook - ePub

COSMO-RS

From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design

Andreas Klamt,

About this book

The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design.COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design 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 backgroundand justification.Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students, academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS.- 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 program

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Yes, you can access COSMO-RS by Andreas Klamt in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Chemistry. We have over one million books available in our catalogue for you to explore.