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Inorganic Compounds with Un… Treatment of Water by Granu…

Molecular Mechanics (ACS Monograph Series)

Author Ulrich Burkert, Norman L. Allinger
Publisher American Chemical Society
Category Science
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Book Details
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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