Title Solvation effects on molecules and biomolecules : computational methods and applications / edited by Sylvio Canuto

Published [Dordrecht] : Springer, ©2008

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Description 1 online resource (x, 536 pages) : illustrations (some color) Series Challenges and advances in computational chemistry and physics ; 6 Challenges and advances in computational chemistry and physics ; 6. Contents Preface; 1 Solvation Models for Molecular Properties:Continuum Versus Discrete Approaches; 2 The multipole moment expansion solvent continuum model: a brief review; 3 The Discrete Reaction Field Approachfor Calculating Solvent Effects; 4 Thermochemical Analysis of the Hydrationof Neutral Solutes; 5 Electronic Properties of Hydrogen BondNetworks: Implications for Solvent Effectsin Polar Liquids; 6 The Sequential QM/MM Method and itsApplications to Solvent Effects in Electronicand Structural Properties of Solutes Summary This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. Solvents are important in chemistry, physics, and biology. Almost all experiments made in organic chemistry, including all kinds of spectroscopy, are made in solution. In biology, several reactions are known that only occur in an aqueous environment. In physics, the interaction with the environment changes optical properties and affects the design of sensors and devices. In recent years the development of theoretical methods to treat solvation problems has seen great progress and quantum chemistry i Bibliography Includes bibliographical references and index Notes Print version record In Springer eBooks Subject Solution (Chemistry) Molecules -- Models. Structure-activity relationships (Biochemistry) Molecular Biology Solutions Structure-Activity Relationship solution. SCIENCE -- Chemistry -- Physical & Theoretical. Chimie. Science des matériaux. Molecules -- Models Solution (Chemistry) Structure-activity relationships (Biochemistry) Form Electronic book Author Canuto, Sylvio. ISBN 9781402082702 1402082703

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