Books for teaching computational chem



 "Experiments in Computational Orgenic Chemistry", by Hehre, Burke,
 Shusterman
 and Pietro, which has recently been recommended on the net, is an excellent
 book for showing the capabilities of computational chem in hands-on work.
 It works most naturally with Wavefunction's SPARTAN program, but should be
 adaptable to, e.g. Gaussian with some success.
 "Exploring Chemistry With Electronic Structure Methods" by Foresman
 and
 A. Frisch of Gaussian Inc is a very instructive book for those getting into
 comp chem.  Unlike the Wavefunction book, it is devoted essentially entirely
 to ab initio calculations ("Experiments.." deals with mechanics,
 semiemp and
 ab initio), and input is limited to the Z-matrix (with a nod at cartesians),
 while results must be interpreted by poring over the printed output, unless
 you are lucky enough to have a program that will create Gaussian input from
 mousedrawn structures, and bring wavefunctions to life, animate normal modes,
 etc etc.  But "Exploring...." has plenty of valuanble information, and
 is well
 worth reading [students read studying].
 As for software, the only integrated MM, semiempirical, ab initio cum
 supergraphics comp chem program I know of is SPARTAN.
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