Computational Chemistry Using the PC 2E - Softcover

Rogers

Softcover

ISBN 10: 1560816724 ISBN 13: 9781560816720

Publisher: Wiley-VCH Verlag GmbH, 1994

Synopsis

An introduction to computational chemistry, molecular orbital calculations and molecular mechanics. This second edition takes in recent developments in hardware and software. The book includes a disk with about 50 complete projects and selected output files suitable for self-study.

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:

Computational Chemistry Using the PC Second Edition Donald W. Rogers Computational Chemistry Using the PC, 2nd Edition, is an introduction to computational chemistry, molecular mechanics, and molecular orbital calculations using a personal microcomputer. It assumes no special computational skills or advanced mathematical training, except for previous knowledge of Basic and college–level calculus. The first part of the book provides a tool box of computational methods ranging from matrix inversion to curve fitting. Later chapters are devoted to molecular orbital calculations, molecular mechanics, and molecular graphics. The reader will gain a basic understanding of contemporary methods in molecular modeling as well as considerable insight into molecular quantum mechanics. Short theoretical introductions precede each topic. Computational Chemistry Using the PC, 2nd Edition, is suitable for both classroom use and individual study, with 50 computer projects given. All programs presented run on an IBM compatible 80386– or 486–based machine with 640 K memory and a math coprocessor, avoiding the necessity of special or expensive microcomputers. Early programs are included with the book on a single diskette, while more elaborate programs are available at moderate prices from sources listed in the appendix.

About this edition

• Publisher: Wiley-VCH Verlag GmbH
• Publication date: 1994
• ISBN 10: 1560816724
• ISBN 13: 9781560816720
• Binding: Paperback
• Number of pages: 247