Subject: HANDBOOK FOR COMPUTATIONAL CHEMISTRY

From: "E. Lewars" <[email-masked]>
Date: Thu, 9 Feb 1995 12:55:57 -0500

There is a new book (1995, ca. Feb) by Oxford University Press, entitled
*Computational Chemistry*; I don't recall the authors.  So far as I 
know this is the first book in ten years that seems (I haven't seen it
yet) to teach molecular mechanics, semiempirical and ab initio (DFT too ?)
methods.  If it does this adequately it will be, so far as I know, the only
book that one could use for an introductory course on comp chem.
Tim Clark's *A Handbook of Computational Chemistry*, MM, semiemp and
ab initio, is 1985, but still informative.
Herhre, Radom, Pople & Schleyer's *Ab Initio Molecular Orbital Theory is
still the bible of ab initio calc's, but not, by itsekf alone, a book for
learning how to do them and a ref when problems crop up.
Szabo & Ostlund's *Modern Quantum Chemistry* --a good book for nonbeginners.
A good introductory text, but well-oriented to Gaussian: *Wxploring 
Chemistry with Electronic Structure Methods* by Foresman and Frisch (contact
Gaussian Inc for that).
{Reply to query by Jussi Eloranta}
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E. Lewars
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