Subject: EHM TODAY--OPINIONS

From: "E. Lewars" <[email-masked]>
Date: Wed, 12 Nov 1997 16:22:51 -0500 (EST)

Wed, 1997 Nov 12

>From E. Lewars
To:  CCL
Subj: Extended Hueckel Today--opinions

Hello,  What do people out there in netland think of the *current* status of the
extended Hueckel method that was popularized by Roald Hoffmann, starting
ca. 1963?   It was, I think, the first generally applicable method, in the
sense that it was not limited to planar pi electron arrays and could in
principle perform geometry optimizations.  Is it the general view that it is
essentially obsolete, having been displaced by more sophisticated methods like
MNDO and its decendants AM1 and PM3?  Does it have some advantages over AM1
and PM3?

Thanks
  E. Lewars
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