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Date: Mon, 18 Jul 1994 14:17:24 -0400
From: "E. Lewars" <elewars@alchemy.chem.utoronto.ca>
Message-Id: <199407181817.OAA22654@alchemy.chem.utoronto.ca>
To: chemistry@ccl.net
Subject: CCL:Books that show how to do ab in optimizations
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Status: RO

Jonathon Stevens asks about books that tell you how to do ab in opt's.
Some recent books are
A Spartan Tutoria, W. J. Hehre, L. D. Burke, and A. J. Shusterman
This is supplied with the Spartan MM/Semiemp/Ab In computational program.
If you don't have Spartan (so much the worse for you), you may still find 
the tutorial helpful with other programs.
Practical Strategies for Electronic Structure Calculations, W. J. Hehre, L. D. Burke
Evaluation of Modern Electronic Structure Methods, W. J. Hehre
Experiments in Computational Organic Chemistry  W. J. Hehre, L. D. Burke,
A. J. Shusterman and W. J. Pietro
All four are published by Wavefunction, Inc, 18401 Von Karman Ave
Suite 370,  Irvine CA 92715   (714)955-2120,  FAX (714)955-2118)
They are oriented toward the use of the highly graphical Spartan program
of Wavefunction.   Another useful book, designed for instruction in the 
Gaussian programs (G92 in particular) is 
Exploring Chemistry with Electronic Structure Methods, by James B. Foresman
and Aeleen Frisch, available from Gaussian Inc., 4415 Fifth Ave, 
Pittsburgh, PA 15213,  (412)279-6700, FAX ....-2118; info@gaussian.com
All these books apeared in the last year or two.
====
Errol Lewars 
===

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