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Computational Chemistry (Oxford Chemistry Primers, 29)
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Computational Chemistry (Oxford Chemistry Primers, 29)
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by Guy H. Grant and W. Graham Richards
Sales Rank : 1039444
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Paperback: 96 pages
Publisher: Oxford University Press, USA; 1 edition May 11, 1995
Language: English
ISBN-10: 019855740X
ISBN-13: 978-0198557401
Product Dimensions:
9.7 x 7.6 x 0.2 inches
Shipping Weight: 7.8 ounces
Product Review
`This is a very readable account of a subject which attempts to predict molecular structure, properties and reactivity using computational methods alone.' Aslib Book Guide, Vol. 60, No. 8, August 1995
Product Description
The uses of computers in chemistry are many and varied, from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This text provides an introduction to the many methods currently used by practicing computational chemists and shows the value of computers in modern chemical research. The authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. While emphasizing the use of computers to model biological systems, the authors explain how the methods can be applied to a wide range of chemical problems.
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