Molecular Mechanics |
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| Author:
| Burkert, Ulrich
Allinger, Norman L. |
| Series title: | ACS Monograph Ser. |
| ISBN: | 978-0-8412-0584-0 |
| Publication Date: | May 1982 |
| Publisher: | American Chemical Society
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| Book Format: | Hardback |
| List Price: | USD $85.00 |
Book Description:
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This comprehensive volume gives a complete description of the basic principles and techniques of molecular mechanics calculations. In addition, the present areas and limitations of usefulness of such calculations are outlined. The first half of this book deals with force fields and methods used for geometry optimization. The remainder of the nine chapters not only gives a compilation of reported calculations but also discusses stereochemical data from experimental sources. Essential...
More DescriptionThis comprehensive volume gives a complete description of the basic principles and techniques of molecular mechanics calculations. In addition, the present areas and limitations of usefulness of such calculations are outlined. The first half of this book deals with force fields and methods used for geometry optimization. The remainder of the nine chapters not only gives a compilation of reported calculations but also discusses stereochemical data from experimental sources. Essential for organic chemists but also of interest to inorganic chemists and biochemists.