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Computaional Chemistry (2nd Edition) Using The PC (ISBN 1-56081-672-4
VCH Publishers, Inc., 1994, NYC,NY) 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.
Computaional 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 640K 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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