Computational organic chemistry / by Steven M. Bachrach.

By: Bachrach, Steven M, 1959-Material type: TextTextPublisher: Hoboken, New Jersey : Wiley, ©2014Edition: Second editionDescription: 1 online resourceContent type: text Media type: computer Carrier type: online resourceISBN: 9781118671221; 1118671228; 9781118671139; 1118671139; 9781118671191; 1118671198; 1306532779; 9781306532778; 1118291921; 9781118291924Subject(s): Chemistry, Organic -- Mathematics | Chemistry, Organic -- Mathematical models | SCIENCE -- Chemistry -- Organic | Chemistry, Organic -- Mathematical models | Chemistry, Organic -- MathematicsGenre/Form: Electronic books.Additional physical formats: Print version:: Computational organic chemistry.DDC classification: 547.001/51 LOC classification: QD255.5.M35Online 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.
List(s) this item appears in: Chemistry
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Includes bibliographical references and index.

Print version record and CIP data provided by publisher.

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.

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