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
收藏
页码：191 / 200
页数：10
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