Molecular Mechanics (ACS Monograph Series)
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Book Details
Author(s)Ulrich Burkert, Norman L. Allinger
PublisherAmerican Chemical Society
ISBN / ASIN0841205841
ISBN-139780841205840
Sales Rank4,329,225
CategoryScience
MarketplaceUnited States 🇺🇸
Description ▲
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 for organic chemists but also of interest to inorganic chemists and biochemists.
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