Computational Chemistry Using The PC 3rd Edition

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Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches.
With significant changes made to adjust for improved technology and increased computer literacy, Computational Chemistry Using the PC, Third Edition gives its readers the tools they need to translate theoretical principles into real computational problems, then proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field, will find this book to be an invaluable resource.
From the Publisher
This book offers an introduction to computational chemistry, molecular orbital calculations and molecular mechanics. Hands-on problems in molecular mechanics, semi-empirical, ab initio and MO calculations are given. The book includes a disk with about 50 complete projects and selected output files suitable for self-study. --This text refers to an out of print or unavailable edition of this title.
From the Back Cover
The bestselling computational chemistry text, newly updated and expanded. Because of advances in technology, PC users can now model chemical phenomena which only a few years earlier required a supercomputer. With processing capabilities moving forward so rapidly, a current introduction to computational chemistry should utilize today’s generally available machines. Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared toward an advanced undergraduate or introductory graduate course, this Third Edition contains revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital calculations.
Extensive bibliography with references ranging from the historically significant to contemporary research. With significant changes made to adjust for improved technology and increased computer literacy of today’s student, Computational Chemistry Using the PC, Third Edition gives its readers the tools they need to translate theoretical principles into real computational problems, then proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field, will find this book to be an invaluable resource.
Product Details
Hardcover: 349 pages
Publisher: Wiley-Interscience; 3 edition (October 3, 2003)
Language: English
ISBN-10: 0471428000
ISBN-13: 978-0471428008
Product Dimensions: 9.2 x 6 x 0.9 inches

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Computational Chemistry Using The PC 3rd Edition

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