Subject: Summary: non-commercial ZINDO

From: [email-masked] (Marianna Fanti)
Date: Tue, 30 Apr 1996 12:12:00 +0100

Dear netters -

Thanks to all who responded.  The answers didn't solve my problem but gave
some interesting tip.

The original query was about where to find a non-commercial version of
ZINDO (Zerner's program) supporting more than 60 atoms and 210 atomic orbitals

Here is a summary of answers:
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Marianna,

    Try 'Argus' from Mark Thompson at Batelle Pacific Northwest
Labs' Environmental Molecular Sciences Laboratory.  His e-mail
address is 

		[email-masked]

-----------------------------------------------------------------
Paul Soper                        All the usual disclaimers apply
DuPont Central Research             [email-masked]  
P.O. Box 80328                                 Tel (302)-695-1757  
Wilmington, DE 19880-0328                      FAX (302)-695-2112  
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Sorry I can't answer your question.  However, I would like to know where 
to get the older (and limited number of atoms) program you refer to.  Thanks

Kimberley Cousins
Department of Chemistry
California State University, San Bernardino
5500 University Parkway
San Bernardino, CA  92407

(909)880-5391
[email-masked]

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Dear Marianna,
             Did you get any useful replies to your question about 
non-commercial versions of ZINDO?  I am interested in versions which
support transition metals and d orbitals.
                Cheers,
                        Dave

------------------------------------------------------------------------

Dr. David W. Price,       Tel: +44 (0)1734 875123  extn 7415
Department of Chemistry,  Fax: +44 (0)1734 311610
University of Reading,    e-mail: [email-masked]
Whiteknights,             W.W.W.: 
READING                HTTP://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
RG6 2AD                                
U.K.

------------------------------------------------------------------------

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Dear Dr. Fanti,

Some months ago I have sent a mail to the CCL in which I wanted to know
where one can obtain ZINDO. But only the commercial versions seem to be 
available on the net, e.g. from CAChe Scientific (Oxford
Molecular Group) or Biosym /MSI. I also have received an adress of a vendor
in Germany: 

Dr. Peter Sorantin
Biosym/Molecular Simulations - MOVING AHEAD TOGETHER
Schatzbogen 54
D-81829 Muenchen
Tel: +49(89)42 93 22
Fax: +49(89)42 81 50
e.mail: [email-masked]
Web-Pages: http://www.biosym.com/

I also have contacted Dr. Zerner directly.  He told me that he has stopped
distributing ZINDO noncommercially be email because the interest in this 
program was so high that it has been too much work. So BIOSYM sells the program
now. It is available either with a graphical user interface or as a standalone
program. I do not know about their licensing fees and whether one can get the 
source code or only binary versions for different computers. 
So far I have nothing heard of a recent noncommercial version of ZINDO, 
unfortunately. 

Such a program would have been very useful for the calculation of starting 
geometries for my ab initio calculations. Here in Darmstadt we have an CNDO/INDO program which has been written by Prof. M.C. Boehm. It contains INDO parameters for all 3d transition metals and the main group elements of the first, second
 and third row. The fourth row main group elements can be calulated with CNDO 
and CNDO/2. The parameters are good for optical spectra (UV/VIS,PE)
and ESR simulations, but the 
geometries optimized with this program contain bonds which are typically 10 %
too long. 
This program is noncommercially available as Fortran 77 source code.
It can be easily tuned for different system sizes. 

If you are interested, please contact Prof. Boehm.
His email address is: [email-masked]   

Yours sincerely,

Joachim Schulte ([email-masked])

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Hi Marianna.

Zerner's Intermediate Neglect of
Differential Overlap (ZINDO)

ZINDO is a semi-empirical computational chemistry software developed over
more than 20 years in Mike Zerner's research group. ZINDO has been
distributed for many years to numerous industrial and academic sites. ZINDO
is
now distributed and maintained by Biosym, Inc. For details on how to obtain
a
copy of ZINDO contact Biosym, or send e-mail to
[email-masked]
 .
It came from this place:
http://www.qtp.ufl.edu/zindo.html

Good luck.

deborah
--
Deborah J. Hankinson  aka [email-masked]
University of Minnesota Department of Chemistry; 626-2287 (281 Kolthoff)

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That's all.  I've omitted  all the e-mails asking for a summary and similar
stuffs.

Bye,
Marianna

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 =                      - Dr. Marianna Fanti                                =
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PS. The drawing has been made by Andreas Ehlers, Amsterdam