JCE Software, 6B1: EPR Simulator

EPR Simulator

Miguel A. Martinez-Jimeno, Ernesto Brunet, and Carlos Sieiro
Universidad Autonoma de Madrid, Cantoblanco, 28049-Madrid, SPAIN

Note:
This program is out of print, but is available for free download by Journal of Chemical Education subscribers.
Go to the download page.

EPR Simulator simulates the first order electron paramagnetic resonance spectra (epr) of up to twelve groups of equivalent nuclei. The program is menu driven and gives a brief explanation for every command. Spectral data are easily introduced and/or modified using a mouse or cursor keys. Added realism of the resulting first order spectrum can be accomplished by mixing it with noise at a specified signal-to-noise ratio. The spectrum can be expanded both horizontally and vertically, and changed to a stick plot to facilitate its analysis. Gaussian and/or Lorentzian line shapes are also available. The calculated spectra may be stored for future use or printed.
In addition to teaching the basics of epr to students, EPR Simulator's capability of adding previously created and saved spectra allows the user to simulate complex mixtures of several paramagnetic species with different g-factors and ratios, making it a powerful research tool (1).

EPR spectrum of n-propyl benzene anion radical from EPR Simulator.
Hardware and Software Requirements
Programs in Series B of JCE: Software are designed for IBM PS/2, PC, or PC-compatible microcomputers with 640K of RAM and one floppy disk drive. CGA or compatible graphics and PC- or MS-DOS 3.1 or later are also required.
EPR Spectrum Simulator also supports EGA and VGA graphics. To print spectra requires an Epson-compatible graphics printer or an HP-7075 or compatible plotter. Two floppy disk drives or a hard disk drive is recommended but not required. An 80286 or better microprocessor and math coprocessor are recommended to greatly improve the computational speed of the program.
Literature Cited

Calle, P.; Sanchez, A.; Siero, C. J. Chem. Soc. Perkin Trans. 2, 1990, 1181; ibid. Carbohydrate Research 1991, 209, 1.

First Published: April 1993
Citation: Martinez-Jimeno, M. A.; Siero, C.; Brunet, E. EPR Simulator J. Chem. Educ. Software 6B1
Keywords: Lecture Aid; Computer Room; Simulation; Analytical; Laboratory; EPR Spectra

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Last Updated: April 26, 2001
Created: December 4, 1996 Created by: J. L. Holmes
Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.



EPR Simulator
Miguel A. Martinez-Jimeno, Ernesto Brunet, and Carlos Sieiro Universidad Autonoma de Madrid, Cantoblanco, 28049-Madrid, SPAIN

Note:	This program is out of print, but is available for free download by Journal of Chemical Education subscribers. Go to the download page.

EPR Simulator simulates the first order electron paramagnetic resonance spectra (epr) of up to twelve groups of equivalent nuclei. The program is menu driven and gives a brief explanation for every command. Spectral data are easily introduced and/or modified using a mouse or cursor keys. Added realism of the resulting first order spectrum can be accomplished by mixing it with noise at a specified signal-to-noise ratio. The spectrum can be expanded both horizontally and vertically, and changed to a stick plot to facilitate its analysis. Gaussian and/or Lorentzian line shapes are also available. The calculated spectra may be stored for future use or printed. In addition to teaching the basics of epr to students, EPR Simulator's capability of adding previously created and saved spectra allows the user to simulate complex mixtures of several paramagnetic species with different g-factors and ratios, making it a powerful research tool (1). EPR spectrum of n-propyl benzene anion radical from EPR Simulator. Hardware and Software Requirements Programs in Series B of JCE: Software are designed for IBM PS/2, PC, or PC-compatible microcomputers with 640K of RAM and one floppy disk drive. CGA or compatible graphics and PC- or MS-DOS 3.1 or later are also required. EPR Spectrum Simulator also supports EGA and VGA graphics. To print spectra requires an Epson-compatible graphics printer or an HP-7075 or compatible plotter. Two floppy disk drives or a hard disk drive is recommended but not required. An 80286 or better microprocessor and math coprocessor are recommended to greatly improve the computational speed of the program. Literature Cited Calle, P.; Sanchez, A.; Siero, C. J. Chem. Soc. Perkin Trans. 2, 1990, 1181; ibid. Carbohydrate Research 1991, 209, 1.


News \| Issues \| CD-ROM / Video \| Find It! \| Technical Support \| For Authors
JCE Online \| Journal \| Software \| Internet \| Happenings \| About JCE \| Contact JCE

Last Updated: April 26, 2001 Created: December 4, 1996	Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.