File Format | PDF
File Size | 4.63 MB
Pages | 372
Language | English
Category | Culture
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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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Computational Chemistry Using the PC