Computational Chemistry-Wow! eBook

Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Editorial Reviews Review Highly recommended by CHOICE

"..Lewars writes clearly and uses illustrations and examples.. End-of-chapter questions are divided into easier and harder levels and a large number of pertinent references are given. The reference material, including books on computational chemistry, appropriate Websites, examples of computational chemistry software with brief descriptions and critiques, and discussion of available hardware is worth the book's price. A welcome contribution to the field. Summing up: Highly recommended.."

(D.A. Johnson, Spring Arbor University in CHOICE, Current Reviews for Academic Libraries, March 2004)

"The end of puzzlement..outstanding overall impression and didactic value..a bargain for someone moving into the field of molecular modelling."

(Nachrichten aus der Chemie, 51: 9 (September 2003)[Translated by E. Lewars].

"I'm convinced that it will be a staple for students everywhere.You've done a good job. Apropos PM3: Your approach here is good. Too often, science is presented dispassionately in books. To see some of the history of these methods makes them more real, I think."

(James J.P. Stewart, Stewart Computational Chemistry, USA (September 2003)

"I must say that yournew text is admirable.. you seem to have found the right balance between theory and application which has eluded many in the past. The section on heats of formation was of particular interest to me because that is one of our primary needs, the computation of the thermochemistry of molecules & free radicals encountered in combustion."

(Dr. John M. Simmie, Chemistry Dept. & Environmental Change Institute, National University of Ireland (August 2003)

"Your book is beautifully conceived and executed. As you know, computational chemistry is a sprawling subject. Even when one picks out a few core topics to write about, one must still face the difficult challenge of striking the right balance between underlying theory, choosing the right method, and performance of each method. As I say, you have made beautiful choices. I hope the book finds its way on to many chemist (and chemistry student) desks."

(Alan Shusterman, Dept. of Chemistry, Reed College, Portland, OR, USA)

From the Back Cover The second edition of this popular textbook has been revised to improve explanations and to add topics which were not featured in the first edition. It also contains extended, updated examples and references. The questions (the hallmark of a genuine textbook) at the end of each chapter fall into two classes: to test and reinforce the reader’s understanding, and to encourage deeper thought. As in the first edition, all pivotal statements and examples are supported by original literature references, and these have been updated to 2009 and 2010. Many calculations included by the author serve to illustrate and to show the scope of various methods. The main methodologies, e.g molecular mechanics, ab initio, semiempirical, and density functional theory (DFT), are introduced in a historical context (but without glossing over scientific detail) because the author believes that a scientific text should also be a humane exposition and not a collection of recipes. This textbook is intended for undergraduate and graduate students working in computational and theoretical chemistry courses and for researchers in universities and industry to whom computational chemistry may be useful. It may be used for self-study or with an instructor. "Errol Lewars has done it again. The author of "Modeling Marvels: Computational Anticipation of Novel Molecules" has written a new edition of another of his highly interesting and informative books, one that interleaves and interweaves rigorous theory, computational protocol, dare I say "classical chemistry", and biographical snapshots. Both the novice and practitioner will find much to enjoy and be educated by Lewars' decision to include easier questions, harder questions and answers that accompany the text." (Prof. Joel F. Liebman, University of Maryland, Baltimore County, UMBC, USA) Review of 1st edition: “An Outstanding Academic Title” – Choice Magazine--This text refers to an alternateHardcoveredition. See all Editorial Reviews

Book Description

Hardcover: 488 pages
Publisher: Springer; 1 edition (March 2003)
Language: English
ISBN-10: 1402072856
ISBN-13: 9781402072857

Errol G. Lewars(Author)

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Computational Chemistry

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