Computational 3e - Hardcover

Rogers

Hardcover

ISBN 10: 0471428000 ISBN 13: 9780471428008

Publisher: John Wiley & Sons, 2003

Synopsis

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.

About this title

Review:

"...includes a wealth of computer projects, exercises...and problems to challenge any group of sharp, industrious students." (Computing Reviews.com, December 30, 2004)

"If one is looking for a text that introduces students to the use of computers to solve chemical problems with the intent of moving those students on to the study of molecular structure, then this is a fantastic textbook." (Journal of Chemical Education, October 2004)

"The book is a worthwhile addition for any library and will be of use for several years to come." (Journal of Metals Online, September 1, 2004)

"...this text is a real gem...should be considered by anyone contemplating developing course material in the area of computational chemistry." (Journal of Medicinal Chemistry, May 20, 2004)

"...superbly organized, and the information is clearly presented, in a great deal of detail...very highly recommended." (Polymer News)

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. Features of the text include:

• A mathematical introduction emphasizing matrix algebra
• Practice problems, lab exercises, and small research projects suitable for a one-semester course
• Instruction on conducting research-level calculations using readily available software
• Learning tools available on an accompanying Web site
• 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.

About this edition

• Publisher: John Wiley & Sons
• Publication date: 2003
• ISBN 10: 0471428000
• ISBN 13: 9780471428008
• Binding: Hardcover
• Edition number: 3
• Number of pages: 370