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Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics

Author: Errol Lewars
Publisher: Boston : Kluwer Academic, ©2003.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
This work provides an overview of computational chemistry, explaining the basic underlying theory at a meaningful level that is not beyond beginners. The large number of references should make this book useful not only to undergraduates but also to graduate students and researchers.
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Errol Lewars
ISBN: 1402072856 9781402072857 1402074220 9781402074226
OCLC Number: 52232764
Description: x, 471 pages : illustrations (some color) ; 24 cm
Contents: An outline of what computational chemistry is all about --
The concept of the potential energy surface --
Molecular mechanics --
Introduction to quantum mechanics in computational chemistry --
Ab initio calculations --
Semiempirical calculations --
Density functional calculations --
Literature, software, books and websites.
Responsibility: Errol Lewars.
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Abstract:

Computational chemistry has become extremely important, being widely used in academic and industrial research. This book provides an overview of the field and explains the basic underlying theory at  Read more...

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Highly recommended by CHOICE "...Lewars writes clearly and uses illustrations and examples... End-of-chapter questions are divided into easier and harder levels and a large number of pertinent Read more...

 
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