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Methods for automated analysis and simulation of electron paramagnetic resonance spectra

Authors
Journal
Analytica Chimica Acta
0003-2670
Publisher
Elsevier
Publication Date
Volume
265
Issue
2
Identifiers
DOI: 10.1016/0003-2670(92)85025-2
Keywords
  • Epr
  • Spectrometry
  • Automated Analysis
  • Spectrum Fitting

Abstract

Abstract Three computer programs for the simulation and iterative least-squares fitting of high-resolution electron paramagnetic resonance (EPR) spectra are described. The program eprft assumes constant linewidths, the programs hffit and hffits allow for linewidth variations. The program eprft offers three minimization techniques: evolutionary Monte Carlo, simplex and Marquardt. Procedures for an automated analysis of EPR spectra are tested, using the combination of a search technique and iterative least-squares fitting.

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