Chinese Journal of Magnetic Resonance ›› 1998, Vol. 15 ›› Issue (2): 183-188.

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A SOFTWARE FOR EPR SIMULATIONS

Xiang Zhimin, Xu Duanjun, Xu Yuanzhi   

  1. Department of Chemistry, Zhejing University, Hangzhou 310027
  • Received:1997-08-26 Revised:1997-10-06 Published:1998-04-05 Online:2018-01-13

Abstract: An EPR spectrum simulation software was written by using Microsoft Visual BASIC 4.0 for Windows 95. A normal calculation can be finished in less than 20s. The software was specially designed for multiple EPR simulation applications. It can be used for simulation of free radical EPR spectra, transition metal complexes/compounds EPR spectra and 2-dimensional EPR imagings. EPR imagings can be displayed in colorgrams, contour maps or 3-dimensional pictures. All the simulated images may be printed into monochrome pictures by using a HP 5L laserjet printer. By editing codes, one can choose a set of parameters for simulating calculation of different paramagnetic substances or for other data process. In the program 2560 point data are used for free radical simulation, and 128×128 for EPR imaging simulation.

Key words: EPR, Simulation software