From GDURST@ELINET1.DOWELANCO.COM  Thu Dec  8 09:18:14 1994
Received: from ELINET1.DOWELANCO.COM  for GDURST@ELINET1.DOWELANCO.COM
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Date: Thu, 8 Dec 1994 8:17:06 -0500 (EST)
From: "Gregory L. Durst - DowElanco R&D" <GDURST@ELINET1.DOWELANCO.COM>
To: chemistry@ccl.net
CC: GDURST@ELINET1.DOWELANCO.COM
Message-Id: <941208081706.fd4d@ELINET1.DOWELANCO.COM>
Subject: Superdelocalizability calcs?


Hello Netters,

I am interested in calculating superdelocalizability indexes
from MOPAC output. (I have an application where these may
be useful in understanding a QSAR analysis). I was wondering if 
anyone out there has written a unix shell script or SPL script to 
do this. It appears this will be a *tedious* job otherwise. Searching 
the CCL archives turned up 2 other requests for similar calc's this 
past year, but no resopnses were recorded. Surely someone out there has 
looked at this before. Thanks in advance for any help, and I'll 
post a summary if there is interest.

Regards,
Greg
+-----------------------------------------------------------------------+
|   Gregory L. Durst                   Computational Chemistry          |
|   phone:   317/337-3413              DowElanco  R&D                   |
|   email:   gdurst@dowelanco.com      9330 Zionsville Rd.  Bldg 306/D2 |
|                                      Indianapolis, IN  46268   USA    |
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