Computational Chemistry Using the PC (eBook)

Donald W. Rogers (Autor)

eBook Download: PDF

2003 | 3. Auflage
350 Seiten
John Wiley & Sons (Verlag)
978-0-471-47491-3 (ISBN)

Infos

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.

Autor

DONALD W. ROGERS, PhD, is Professor Emeritus at Long Island University. For forty years, Professor Rogers has taught academic courses in physical chemistry, thermodynamics, general chemistry, computational chemistry, and microcomputer interfacing. He publishes regularly in the Journal of Physical Chemistry and elsewhere, and his work has been supported for the last decade by the National Science Foundation through the National Center for Supercomputing Applications.

Rezensionen

"...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)

Produkt-Details

• Erscheint lt. Verlag: 21.10.2003
• Sprache: englisch
• Themenwelt: Informatik ► Grafik / Design ► Digitale Bildverarbeitung
• Themenwelt: Naturwissenschaften ► Chemie
• Themenwelt: Technik
• Schlagworte: Chemie • Chemistry • Computational Chemistry • Computational Chemistry & Molecular Modeling • Computational Chemistry u. Molecular Modeling • Computer-Ratgeber • Computing Special Topics • End-User Computing • Spezialthemen Computerratgeber
• ISBN-10: 0-471-47491-6 / 0471474916
• ISBN-13: 978-0-471-47491-3 / 9780471474913