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Author Bachrach, Steven M., 1959-
Title Computational organic chemistry [electronic resource] / Steven M. Bachrach
Imprint Hoboken, New Jersey : Wiley, 2014
book jacket
Edition 2nd ed
Descript 1 online resource (xxi, 607 p.) : ill
Note Includes bibliographical references and index
Building upon and updating the successful first edition, the second edition of Computational Organic Chemistry introduces computational modeling methods used as standard tools by organic chemists for searching, rationalizing, and predicting structure and reactivity of organic molecules. New coverage includes: significant problems with standard DFT (density functional theory) methods; ways to address these problems; computational organic spectroscopy; computational tools for understanding enzyme mechanisms; and new interviews. The text is particularly valuable to organic, physical organic, synt
Description based on online resource; title from digital title page (viewed on May 1, 2014)
Subject Chemistry, Organic -- Mathematics
Chemistry, Organic -- Mathematical models
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