Subject: Fenske-Hall and Extended Huckel

From: <[email-masked]>
Date: Tue, 14 Dec 93 18:46:15 GMT

Hi,

I fully agree with the description of Tom Cundari and I would like to
add this enlightening paper :

Bruce E. Bursten

" Some comments on approximate LCAO molecular orbital theory
in organometallic chemistry: Getting more by doing less?

Pure & Applied Chemistry, 1991, (61) 839-844

I do not know about the availabilty of  Fenske-Hall program
... but I know of an Extended Huckel one : CACAO
(The input file format is already included in BABEL)

I hope this helps

Sincerely,
                         Davide

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Davide M. Proserpio - Istituto di Chimica Strutturistica Inorganica
Universita' di Milano,   Via Venezian, 21 -  20133  Milano,   Italy
phone +39-2-70635120 fax 70635288 - [email-masked]
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