From jkl@ccl.net Fri Mar  1 15:26:55 1991
Date: Fri, 01 Mar 91 15:12:17 EST
From: jkl@ccl.net
Subject: ESR simulation programs
To: chemistry@ccl.net
Status: R

> POSTED by JKL for jtwarden@charis.chem.rpi.edu (Joseph T. Warden)
> From jtwarden@charis.chem.rpi.edu Fri Mar  1 14:21:39 1991
From: jtwarden@charis.chem.rpi.edu
Subject:  ESR simulation programs
Status: R

        In reference to the query (and the following response) for
information about vendors of ESR simulation programs:

>Hello, I saw your request for information posted to the chemistry@ccl.net
>list.  The following is from the "The Software Directory", one of the many
>files I search in Dialog Information Services (information retrieval being
>one of a number of things I do at my small-medium size company).  I have
>no personal experience with these particular programs (does anyone else
out
>there?).  Hope this is enough for your needs (and with the hope that this
>doesn't get into the commercial product controversy).
>               -Chuck McFarland
>                McGean-Rohco, Inc.
>                Cleveland, Ohio          Bitnet:  MCFARLND@CWRU

Most ESR spectroscopists are very forthcoming with simulation codes - I, as
do many of my colleagues, use a variety of programs - many tailored for
specific purposes or cpu platforms. I would suggest that you contact an ESR
person in your corner of the world and discuss your project. I would think
the nearest "guru" to you would be John Pilbrow at Monash University. More
generally, the International EPR/ESR) Society is forming a Standing
Committee on Software (Richard Cammack, Kings College London).
The Society may be contacted c/o Linn Belford (belford@uiucscs.BITNET).

Joseph Warden
Department of Chemistry
Rensselaer Polytechnic Institute

_____________________________________________________________________

Joseph T. Warden
Department of Chemistry and Center for Biophysics
Rensselaer Polytechnic Institute
Troy, NY 12180-3590

Telephone: (518) 276-8482 (Office) -or- (518) 276-8483 (Lab)
FAX: (518) 276-2636
E-Mail: (BITNET)   jtwarden@rpitsmts
        (INTERNET) jtwarden@charis.chem.rpi.edu
                   jtwarden@mts.rpi.edu
                   jtwarden@rpi.edu

_____________________________________________________________________



---