Re: CCL:computational chemistry course - undergraduate



Dear Dr. Deeb,
     Text books:
     I'd recommend:
 1. Andrew R. Leach's book:
   Molecular Modelling: Principles and Applications
   It offers very broad practical coverage of molecular modelling in an
   understandable style.  The perspective that it provides
   (practicality) is uncommon.
   This most applicable to drug design.
 For simulations:
 I like:
 1. D. Frenkel and B. Smit's: Understanding Molecular Simulation
 2. M.P. Allen and D. J. Tildesley's: Computer Simulation of liquids
   John C. Shelley
   Schrodinger, Inc.
 On Wed, 1 Aug 2001, omar Deeb wrote:
 > Dear all,
 >
 > we are trying to give our undergraduate chemistry
 > students a computational chemistry course.
 > Any suggestions concerning outline, textbook, software
 > and related material.
 >
 > Thanks in advance
 >
 > Dr. omar Deeb
 > Chairman of the depart. of chemistry
 > faculty of science and technology
 > Alquds university
 > jerusalem
 >
 > fax 972-2-2796960
 >
 > e-mail deeb2000il()at()yahoo.com
 >
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