Coverart for item
The Resource Solvation effects on molecules and biomolecules : computational methods and applications, edited by Sylvio Canuto, (electronic book)

Solvation effects on molecules and biomolecules : computational methods and applications, edited by Sylvio Canuto, (electronic book)

Label
Solvation effects on molecules and biomolecules : computational methods and applications
Title
Solvation effects on molecules and biomolecules
Title remainder
computational methods and applications
Statement of responsibility
edited by Sylvio Canuto
Contributor
Subject
Language
eng
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
Member of
Cataloging source
GW5XE
Dewey number
541.34
Illustrations
illustrations
Index
index present
LC call number
QD541
LC item number
.S63 2008
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
Canuto, Sylvio
Series statement
Challenges and advances in computational chemistry and physics
Series volume
6
http://library.link/vocab/subjectName
  • Solution (Chemistry)
  • Molecules
  • Structure-activity relationships (Biochemistry)
  • Models
  • Molecules
  • Solution (Chemistry)
  • Structure-activity relationships (Biochemistry)
  • Chemistry
  • Science
Label
Solvation effects on molecules and biomolecules : computational methods and applications, edited by Sylvio Canuto, (electronic book)
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Color
multicolored
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
Control code
SPR656248879
Dimensions
unknown
Extent
1 online resource (x, 536 p.)
Form of item
online
Isbn
9781402082702
Other physical details
ill. (some col.)
Specific material designation
remote
Label
Solvation effects on molecules and biomolecules : computational methods and applications, edited by Sylvio Canuto, (electronic book)
Publication
Bibliography note
Includes bibliographical references and index
Color
multicolored
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
Control code
SPR656248879
Dimensions
unknown
Extent
1 online resource (x, 536 p.)
Form of item
online
Isbn
9781402082702
Other physical details
ill. (some col.)
Specific material designation
remote

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