Solvation effects on molecules and biomolecules : computational methods and applications /

Saved in:

Bibliographic Details
Imprint:	[Dordrecht] : Springer, c2008.
Description:	1 online resource (x, 536 p.) : ill. (some col.)
Language:	English
Series:	Challenges and advances in computational chemistry and physics ; 6 Challenges and advances in computational chemistry and physics ; 6.
Subject:	Molecular Biology. Solution (Chemistry) Molecules -- Models. Structure-activity relationships (Biochemistry) Molecules -- Models. Solution (Chemistry) Structure-activity relationships (Biochemistry)
Format:	E-Resource Book
URL for this record:	http://pi.lib.uchicago.edu/1001/cat/bib/8888040

Hidden Bibliographic Details
Other authors / contributors:	Canuto, Sylvio.
ISBN:	9781402082702 1402082703 9781402082696 140208269X
Notes:	Includes bibliographical references and index. Description based on print version record.
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.
Other form:	Print version: Solvation effects on molecules and biomolecules. [Dordrecht] : Springer, c2008 9781402082696 140208269X

Table of 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.

Similar Items