{"product_id":"9780080455532","title":"COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design","description":"\u003cp\u003eThe 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. \u003c\/p\u003e \u003cp\u003e\u003ci\u003eCOSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design\u003c\/i\u003e 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 of the 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. \u003c\/p\u003e \u003cp\u003eAimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, \u003ci\u003eCOSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design\u003c\/i\u003e provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS.\u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eThe only book currently available on COSMO-RS technique\u003c\/li\u003e\n\u003cli\u003eProvides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics\u003c\/li\u003e\n\u003cli\u003eIncludes illustrative examples of the COSMOtherm program\u003c\/li\u003e\n\u003c\/ul\u003e","brand":"Elsevier Science","offers":[{"title":"Default Title","offer_id":47119378350320,"sku":"9780080455532","price":225.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0737\/7593\/9824\/files\/9780080455532_p0.jpg?v=1763637848","url":"https:\/\/shop-qa.barnesandnoble.com\/products\/9780080455532","provider":"Barnes \u0026 Noble (DEV)","version":"1.0","type":"link"}