ESR simulation programs
> POSTED by JKL for jtwarden (+ at +) charis.chem.rpi.edu (Joseph T.
Warden)
> From jtwarden (+ at +) charis.chem.rpi.edu Fri Mar 1 14:21:39 1991
From: jtwarden (+ at +) 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 (+ at +)
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 (+ at +) 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 (+ at +) 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 (+ at +) rpitsmts
(INTERNET) jtwarden (+ at +) charis.chem.rpi.edu
jtwarden (+ at +) mts.rpi.edu
jtwarden (+ at +) rpi.edu
_____________________________________________________________________
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