Rogers Computational Chemistry Using the PC

3. Auflage 2003
ISBN: 978-0-471-47491-3
Verlag: John Wiley & Sons
Format: PDF
Kopierschutz: Adobe DRM (»Systemvoraussetzungen)

E-Book, Englisch, 350 Seiten, E-Book

Computational Chemistry Using the PC, Third Edition takes thereader from a basic mathematical foundation to beginningresearch-level calculations, avoiding expensive or elaboratesoftware in favor of PC applications. Geared towards an advancedundergraduate or introductory graduate course, this Third Editionhas revised and expanded coverage of molecular mechanics, molecularorbital theory, molecular quantum chemistry, and semi-empirical andab initio molecular orbital approaches.
With significant changes made to adjust for improved technology andincreased computer literacy, Computational Chemistry Using the PC,Third Edition gives its readers the tools they need to translatetheoretical principles into real computational problems, thenproceed to a computed solution. Students of computationalchemistry, as well as professionals interested in updating theirskills in this fast-moving field, will find this book to be aninvaluable resource.

Autoren/Hrsg.

Rogers, Donald W.

Über Autor(innen)

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.