Subject: TEXTBOOK FOR COURSE IN COMPUTATIONAL CHEMISTRY

From: <[email-masked]>
Date: Mon, 21 Mar 1994 09:48:21 -0600 (CST)

DEAR COLLEAGUES,

CAN SOMEONE OUT THERE GIVE ME A RECOMMENDATION FOR A TEXTBOOK TO USE FOR A 
UNDERGRADUATE/GRADUATE COURSE IN COMPUTATIONAL CHEMISTRY?  I USED TIM 
CLARK'S BOOK PREVIOUSLY, BUT IT IS BECOMING OUTDATED AND IT PROVIDES NO 
END-OF-CHAPTER PROBLEMS (AND, OF COURSE, NO 'SOLUTIONS MANUAL').  STUDENTS 
ENROLLED IN THIS COURSE WILL VARY THEIR BACKGROUND KNOWLEDGE OF COMPUT. 
CHEM. FROM ZILCH TO COMPETENT.  ALSO, THE COURSE WILL BE 'HANDS ON' IN THAT 
THEY WILL LEARN AND APPLY VARIOUS SOFTWARE PACKAGES SUCH AS INSIGHT/
DISCOVER, SYBYL, POLYGRAF, MACROMODEL, SPARTAN, SEMICHEM, HYPERCHEM, AND 
GAUSSIAN.

THANKS
BILL WELSH
DEPT. OF CHEMISTRY
UNIV. OF MISSOURI-ST. LOUIS

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From: Abby Parrill <[email-masked]>
Date: Mon, 21 Mar 1994 10:43:34 -0700 (MST)

> UNIV. OF MISSOURI-ST. LOUIS

The book titled "Experiments in Computational Organic Chemistry" by W. J.
Hehre, L. D. Burke, A. J. Shusterman and W. J. Pietro would be a very good
one to look into.  It is also fairly inexpensive (which your students would
appreciate).

__________________________________________________________
                                              
                      Abby Parrill
                  Chemistry Department
      Artificial Intelligence in Chemistry Laboratory                         
                The University of Arizona                    
             [email-masked]              
                                           
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