Computational organic chemistry / [electronic resource]
by Bachrach, Steven M.
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BookPublisher: Hoboken, New Jersey : Wiley, ©2014.Edition: Second edition.Description: 1 online resource.ISBN: 9781118671221; 1118671228; 9781118671139; 1118671139; 9781118671191; 1118671198; 1306532779; 9781306532778; 1118291921; 9781118291924.Subject(s): Chemistry, Organic -- Mathematics | Chemistry, Organic -- Mathematical models | SCIENCE -- Chemistry -- Organic | Chemistry, Organic -- Mathematical models | Chemistry, Organic -- Mathematics | Electronic booksOnline resources: Wiley Online Library Summary: 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.
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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.
Text in English.
Print version record and CIP data provided by publisher.
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