Subject: Re: CCL:Semi-empirical programs for teaching

From: "Wayne Huang" <[email-masked]>
Date: Tue, 2 Jan 1996 08:55:40 -0800

On Dec 19,  9:40am, Jack Martin Miller wrote:
> Subject: CCL:Semi-empirical programs for teaching
>
> Can anyone recommend either free or low cost PC or Mac Semi-empirical
> programs suitable for use in an advanced Organic Chemistry class in fourrth
> year so that students can have their own copy of the program on their
> computer at home?

MacSpartan (PowerMac version) could do the job. It includes quantum
mechanics (ab initio and semiempirical) and molecular mechanics methods.
Its high-end graphics provides great visual teaching tools
for organic chemistry. It prices at $299 (US & Canada academics).
Along with it, Wavefunction also offers publications related to your
purpose - teaching in organic chemistry:

(1) Educational CD-ROM: "Visualization of chemical structures and reactions",
    (facusing on organic chemistry), by Tom Hehre, Lonnie Burke,
    Wayne Huang, Warren Hehre, 1995.

(2) Self-guided Tutorial: "A MacSpartan Tutorial", Wavefunction, 1996.

(3) Experiment book: "A Laboratory Book of Computational Organic Chemistry"
    by Warren Hehre, Wayne Huang & Alan Shusterman, 1996.

For more information, check http://www.wavefun.com/MacSpartan.html

--Wayne

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