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Computational organic chemistry

Bachrach, Steven M., (1959-)

Computational organic chemistry

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computational organic chemistrySteven M. Bachrach.
作者:	Bachrach, Steven M.,
出版者:	Hoboken, New Jersey :Wiley,2014.
面頁冊數:	1 online resource (xxi, 607 p.) :ill.
標題:	Chemistry, OrganicMathematics.
電子資源:	http://onlinelibrary.wiley.com/book/10.1002/9781118671191
ISBN:	9781118671191 (electronic bk.)

Computational organic chemistry
Bachrach, Steven M.,1959-

Computational organic chemistry[electronic resource] /Steven M. Bachrach. - 2nd ed. - Hoboken, New Jersey :Wiley,2014. - 1 online resource (xxi, 607 p.) :ill.

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

ISBN: 9781118671191 (electronic bk.)

LCCN: 2013030473Subjects--Topical Terms:

251731
Chemistry, Organic
--Mathematics.

LC Class. No.: QD255.5.M35 / B33 2014

Dewey Class. No.: 547.001/51

Computational organic chemistry
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100 1 $a Bachrach, Steven M., $d 1959- $3 251730
245 1 0 $a Computational organic chemistry $h [electronic resource] / $c Steven M. Bachrach.
250 $a 2nd ed.
260 $a Hoboken, New Jersey : $b Wiley, $c 2014.
300 $a 1 online resource (xxi, 607 p.) : $b ill.
504 $a Includes bibliographical references and index.
520 $a 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
588 $a Description based on online resource; title from digital title page (viewed on May 1, 2014)
650 0 $a Chemistry, Organic $x Mathematics. $3 251731
650 0 $a Chemistry, Organic $x Mathematical models. $3 251732
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781118671191