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Computational Chemistry
Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Langbeschreibung
Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Inhaltsverzeichnis
An Outline of What Computational Chemistry is All About.- The Concept of the Potential Energy Surface.- Molecular Mechanics.- to Quantum Mechanics in Computational Chemistry.- Ab initio Calculations.- Semiempirical Calculations.- Density Functional Calculations.- Literature, Software, Books and Websites.
Prof. Dr. E.G. Lewars Errol G. Lewars obtained his Ph.D. with Peter Yates at the University of Toronto, synthesizing "unnatural products", then worked with R. B. Woodward at Harvard on vitamin B12, and with J. F. King at the University of Western Ontario on organosulfur compounds. He is currently Professor of Chemistry at Trent University, Peterborough, Ontario, Canada. The development of methods which provided a realistic assessment of the properties of unknown compounds induced him to move into computational chemistry. His work "Computational Chemistry. An Introduction to the Theory and Applications of Molecular and Quantum Mechanics" (published by Kluwer, 2003) was named as CHOICE magazine's "Outstanding Academic Title" of 2004.
ISBN-13:
9780306483912
Veröffentl:
2007
Seiten:
471
Autor:
Errol G. Lewars
eBook Typ:
PDF
eBook Format:
EPUB
Kopierschutz:
1 - PDF Watermark
Sprache:
Englisch
85,59 €*
Lieferzeit: Sofort lieferbar
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