Items related to Computational Chemistry Using the PC
This book is designed for use by advanced undergraduate and beginning graduate courses in computational chemistry. The book shows how to do molecular mechanics, molecular modelling and molecular graphics on a personal computer. The book also details how to carry out both simple and complicated molecular orbital calculations on the PC and contains many worked examples of molecular structure and energy calculations as well as exercise problems with a solutions manual. The book is accompanied by a disk.
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Review:
"...includes a wealth of computer projects, exercises...and problems to challenge any group of sharp, industrious students." ( Computing Reviews.com, December 30, 2004)
From the Back Cover:
"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)
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.
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- PublisherWiley-VCH Verlag GmbH
- Publication date1990
- ISBN 10 3527279377
- ISBN 13 9783527279371
- BindingHardcover
- Number of pages233
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