ENGLISH

Computational Chemistry Using the PC

By Donald W. Rogers

Book information

Publisher
Wiley-Interscience
Year
2003
ISBN
9780471428008, 0-471-42800-0
Open Library ID
OL7617082M
Language
english
Format
PDF
Filesize
4 MB (4652468 bytes)
Edition
3rd ed
Pages
363\363
Library
Techlib
Time added
2009-11-09 02:42:13

Description

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.

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