
Chemical Modelling
Applications and Theory Volume 5
Alan Hinchliffe(Editor)
Royal Society of Chemistry (Publisher)
Published on 19. November 2008
Book
Hardback
400 pages
978-0-85404-248-7 (ISBN)
Description
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Volume 5 covers literature published from June 2005 to May 2007.
More details
Series
Language
English
Place of publication
Cambridge
United Kingdom
Target group
College/higher education
Professional and scholarly
Product notice
Unsewn / adhesive bound
Dimensions
Height: 234 mm
Width: 156 mm
Thickness: 27 mm
Weight
857 gr
ISBN-13
978-0-85404-248-7 (9780854042487)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions

E-Book
11/2008
1st Edition
Royal Society of Chemistry
€385.99
Available for download
Persons
Editor
Contributions
The Open University, UK
Universite Libre de Bruxelles, Belgium
Shiraz University, Iran
Content
Cover;Front matter;Preface;Contents;Multiscale modelling of biological systems;Computer-aided drug design 2005-2007;Solvation effects;The solid state;Density functional theory studies of alloys in heterogeneous catalysis;Fluctuation relations, free energy calculations and irreversibility;Many-body perturbation theory and its application to the molecular structure problem;Experiment and theory in the determination of molecular hyperpolarizabilities in solution;
pNA and MNA in dioxane;The floating spherical Gaussian orbital (FSGO) method;Advances in valence bond theory;Numerical methods in chemistry;
pNA and MNA in dioxane;The floating spherical Gaussian orbital (FSGO) method;Advances in valence bond theory;Numerical methods in chemistry;