COSMO-RS : from quantum chemistry to fluid phase thermodynamics and drug design /: from quantum chemistry to fluid phase thermodynamics and drug design. (2005)

• Record Type: Book
• Further Information: Note: By Andreas Klamt.
• Other Names: Klamt, Andreas
• Contents: Introduction -- Dielectric continuum solvation models and COSMO -- Fundamental criticism of the dielectric continuum approach -- Molecular interactions at the North Pole : a virtual experiment -- Statistical thermodynamics of interacting surfaces -- The basic COSMO-RS -- Refinements, parameterization, and the complete COSMO-RS -- COSMO-RS for chemical engineering thermodynamics -- The sigma-element approach -- The wider range of COSMO-RS applicability -- Life-science applications of COSMO-RS -- Summary, limitations, and perspectives.
• Publisher Details: Place of publication not identified : Elsevier Science
• Publication Date: 2005
• Extent: 1 online resource (246 pages)
• Subjects: 541.28; Quantum chemistry; Thermodynamics; Drugs -- Design; Chimie quantique; Thermodynamique; Médicaments -- Conception; Drugs -- Design; Quantum chemistry; Thermodynamics; Flüssigkeit; Quantenchemie; Statistische Thermodynamik; Thermodynamische Eigenschaft
• Languages: English
• ISBNs: 9780080455532; 0080455530
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.