Computational Organic Chemistry

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9781118291924: Computational Organic Chemistry

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, SYNTHETIC ORGANIC, AND COMPUTATIONAL CHEMISTS USING COMPUTATIONAL TOOLS.

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?This book provides a practical overview of the ways in which computational modeling methods and applications can be used in organic chemistry to predict the structure and reactivity of organic molecules.? ("Reviews", May 2009)The book provides an excellent and authoritative panorama of the various approaches to modelling important organic intermediates and their reactivity. ("Organic Process Research and Development Journal", 2008)?"The strength of the book lies in the very detailed discussion of the case examples, the comparison of different methods?" ("Angewandte Chemie", 2008-47/13)"Both seasoned researchers and interested students will find this book useful." ("CHOICE", January 2008)

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The Second Edition of author Steven Bachrach s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. (Chemistry Views, 23 October 2014)

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Steven M. Bachrach
Verlag: Wiley John & Sons Mai 2014 (2014)
ISBN 10: 1118291921 ISBN 13: 9781118291924
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Buchbeschreibung Wiley John & Sons Mai 2014, 2014. Buch. Buchzustand: Neu. 241x164x41 mm. Neuware - The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry 607 pp. Englisch. Artikel-Nr. 9781118291924

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