PDF Ebook Computational Organic Chemistry
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Computational Organic Chemistry
PDF Ebook Computational Organic Chemistry
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Review
“Valuable for anyone wishing to learn how to carry out quantum chemistry computations. . .Highly recommended. Upper-division undergraduates and above.” (Choice, 1 June 2015) “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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From the Back Cover
"[This book] collects together, largely for the first time, a series of chapters dedicated to all the ways in which molecular modeling/computational chemistry can impact organic chemistry."--Christopher J. Cramer, author of Essentials ofComputational Chemistry: Theories and ModelsComputational Organic Chemistry 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. After a concise survey of computational methods, the book presents in-depth case studies that show how various computational methods have provided critical insight into the nature of organic mechanisms. With a focus on methodologies, this unique resource: Discusses simple molecular properties, pericyclic reactions, carbenes and radicals, anion chemistry, solvent effects, and moreFeatures sidebars that offer a personal look at some of the leading practitioners in the fieldConveys the strengths and limitations of each method, so that readers develop a feel for the correct "tool" to use in the context of a specific problemFurther informs readers with a supporting Web site that provides links to materials cited and features a blog that discusses and provides links to new relevant articles at www.trinity.edu/sbachrac/coc/ This is a great reference for practicing physical organic and computational chemists, as well as a thought-provoking textbook for graduate-level courses in computational chemistry and organic chemistry.
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Product details
Hardcover: 632 pages
Publisher: Wiley; 2 edition (April 7, 2014)
Language: English
ISBN-10: 1118291921
ISBN-13: 978-1118291924
Product Dimensions:
6.4 x 1.6 x 9.3 inches
Shipping Weight: 2.1 pounds (View shipping rates and policies)
Average Customer Review:
5.0 out of 5 stars
3 customer reviews
Amazon Best Sellers Rank:
#1,456,391 in Books (See Top 100 in Books)
(See also my review of the first edition.) This updated edition corrects the few errors that I noticed in the earlier one, and includes newer results that appeared in the literature after the publication of the first edition.Of the dozens of books on computational modeling that I have read, all of the rest seem to be aimed at an audience of mathematicians who develop computational methods. In contrast, this is the only book I have found aimed at an audience of chemists who are primarily interested in using extant computational tools to answer "chemistry" questions without necessarily worrying about what is "under the hood." At the same time, sufficient theoretical background is included to give users a firm grasp of the scope and limitations of any particular method.An exceptional work, a Magnum Opus, meticulously thorough and rigorously documented. I recommend it without hesitation or qualification.
The second edition of Bachrach's book is even better, and more detailed, than the first. It is written for the organic experimentalist, not the mathematician or theorist. It is a superb introduction to the computational tools and techniques available to help plan experiments, and to interpret the results. It should be on the bookshelf of every student of organic chemistry, and every practicing organic chemist.
The second edition of Bachrach's book (for comments about the 1-st edition see my older review) is a nice addition to the collection of computational quantum chemistry books which comes with extended and updated chapters along with two brand-new chapters.The new chapters are one about "Computed Spectral Properties and Structure Identification" and another about "Computational Approaches to Understanding Enzymes". The former is especially important for the identification of natural organic compounds which are extracted from plants or living organisms and do require an identification of their molecular structure using spectroscopic/crystallographic methods - computed spectroscopic properties represent a powerful tool for the identification process because upon comparing them against the experimental data it is possible to assign the correct 3D structure to the novel compound.The latter chapter is useful for those intending to study biological systems with the aid of QM/MM methods. With these methods one can treat the important residues in the active site and the substrate at the QM level while the remaining atoms of the enzyme can be treated at the MM level. On his website, the author maintains a blog with novel information and a lively discussion about the topics treated inside the book. Both students and professionals will benefit from reading this book.
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