Re: ESR simulation program
Particularly for Horst Stratemeier (horst;at;tasman.cc.utas.edu.au)
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
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ESRA II ISPN: 10729-265
CALLEO SCIENTIFIC SOFTWARE
1300 MIRAMONT DR.
FT. COLLINS , CO 80524 USA
(303)493-8573
Warranty available ( LIMITED )
SYSTEMS DISTRIBUTION MEMORY PRICE DATE
APPLE MACINTOSH, MAC II, PLUS, SE,
IIX, IICX, IICI, SE/30, IIFX
3 1/2-inch disk 1024K 295.00 05/01/89
Requires: 68881 math co-processor.
BRIEF DESCRIPTION:
A first-order powder and solution electron spin resonance spectral
simulation application. Can simulate up to 24 nuclear spin sets.
LONG DESCRIPTION:
ESRA II permits the user to define nuclear abundances, spectrometer
frequency, line width, spectral width, g, hyperfine coupling constants
and spectral resolution. All naturally occurring isotopes for the first
103 elements are supported. ESRA II enables the user to simulate
anisotropic g and A tensors, only anisotropic g tensors or only
anisotropic A tensors. Powder spectra can be simulated with either
Gaussian or Lorentzian lineshapes. The user specifies the number of
integration steps in the solid angle surface integration. The on-screen
spectrum can be copied to the Clipboard for use with other applications.
The on-screen spectrum can also be printed directly via the Apple
ImageWriter or LaserWriter. Spectra can be saved in PICT files. Has the
ability to read and write spectral datasets in ASCII files. Comes with a
comprehensive manual that includes a tutorial, a reference section and a
chapter describing the methodology used.
---------------------------------------------------------------------------
ESRA (VER. 1.0) ISPN: 10729-260
Warranty available ( LIMITED )
SYSTEMS DISTRIBUTION MEMORY PRICE DATE
APPLE MACINTOSH, MAC II, PLUS, SE,
IIX, IICX, IICI, SE/30, IIFX
3 1/2-inch disk 512K 225.00 05/01/89
BRIEF DESCRIPTION: As previous LONG DESCRIPTION: As previous
---------------------------------------------------------------------------
ESR II (VER. 1.0) ISPN: 10729-255
CALLEO SCIENTIFIC SOFTWARE
1300 MIRAMONT DR.
FT. COLLINS , CO 80524 USA
(303)493-8573
Warranty available ( LIMITED )
SYSTEMS DISTRIBUTION MEMORY PRICE DATE
APPLE MACINTOSH, MAC II, PLUS, SE,
IIX, IICX, IICI, SE/30, IIFX
3 1/2-inch disk 1024K 245.00 05/01/89
Requires: 68881 math co-processor.
BRIEF DESCRIPTION:
A first-order isotropic electron spin resonance spectral simulation
application. Can simulate up to 24 nuclear spin sets.
LONG DESCRIPTION:
ESR II permits the user to define nuclear abundances, spectrometer
frequency, line width, spectral width, g, hyperfine coupling constants
and spectral resolution. All naturally occurring isotopes for the first
103 elements are supported. The on-screen spectrum can be copied to the
Clipboard for use with other applications. The on-screen spectrum can
also be printed directly via the Apple ImageWriter or LaserWriter.
Spectra can be saved in PICT files. ESR has the ability to read and write
spectral datasets in ASCII files. Comes with a comprehensive manual that
includes a tutorial, a reference section and a chapter describing the
methodology used.
---------------------------------------------------------------------------
ESR (VER. 1.0) ISPN: 10729-250
Warranty available ( LIMITED )
SYSTEMS DISTRIBUTION MEMORY PRICE DATE
APPLE MACINTOSH, MAC II, PLUS, SE,
IIX, IICX, IICI, SE/30, IIFX
3 1/2-inch disk 512K 175.00 05/01/89
BRIEF DESCRIPTION: As previous LONG DESCRIPTION: As previous
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