METHODS FOR AUTOMATED-ANALYSIS AND SIMULATION OF ELECTRON-PARAMAGNETIC RESONANCE-SPECTRA

被引：42

作者：

KIRSTE, B

机构：

[1] Institut für Organische Chemie der Freien Universität Berlin, W-1000 Berlin 33

来源：

ANALYTICA CHIMICA ACTA | 1992年 / 265卷 / 02期

关键词：

EPR; SPECTROMETRY; AUTOMATED ANALYSIS; SPECTRUM FITTING;

D O I：

10.1016/0003-2670(92)85025-2

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

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.

引用

页码：191 / 200

页数：10

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