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Computational chemistry

Author: Guy H Grant; W G Richards
Publisher: Oxford [England] ; New York : Oxford University Press, 1995
Series: Oxford chemistry primers, 29.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
"This series of short texts provides accessible accounts of a range of essential topics in chemistry. Written with the needs of the student in mind, the Oxford Chemistry Primers offer just the right level of detail for undergraduate study, and will be invaluable as a source of material commonly presented in lecture courses yet not adequately covered in existing texts. All the basic principles and facts in a  Read more...
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Guy H Grant; W G Richards
ISBN: 0198557418 9780198557418 019855740X 9780198557401
OCLC Number: 31134327
Notes: "Reprinted (with corrections) 1996"--Title page verso.
Description: 90, [2] pages : illustrations ; 25 cm.
Contents: 1. Introduction --
2. Quantum mechanics --
3. Molecular mechanics --
4. Statistical mechanics --
5. Modelling biomolecules --
6. Ligand design.
Series Title: Oxford chemistry primers, 29.
Responsibility: Guy H. Grant, W. Graham Richards.
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Describes the computational methods used by practising chemists. This work presents the various techniques available, and how they can be applied to single molecules, to assemblies of molecules, and  Read more...

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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 Read more...

 
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