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Bachrach, Steven M., 1959-

Computational organic chemistry / by Steven M. Bachrach. - Second edition. - 1 online resource.

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.

ISBN: 9781118671221 1118671228 9781118671139 1118671139 9781118671191 1118671198 1306532779 9781306532778 1118291921 9781118291924

Source: 584528 MIL

LCCN: 2013030473

Subjects--Topical Terms:
Chemistry, Organic--Mathematics.
Chemistry, Organic--Mathematical models.
SCIENCE--Chemistry--Organic.
Chemistry, Organic--Mathematical models.
Chemistry, Organic--Mathematics.

Index Terms--Genre/Form:
Electronic books.

LC Class. No.: QD255.5.M35

Dewey Class. No.: 547.001/51