A FAST METHOD FOR FITTING THE G-TENSOR OF EPR POWDER SPECTRA USING THE LEVENBERG-MARQUARDT ALGORITHM

被引：0

作者：

MOENS, PDW ^{[1
]}

NAESSENS, DE ^{[1
]}

CALLENS, FJ ^{[1
]}

MATTHYS, PFA ^{[1
]}

MAES, FRC ^{[1
]}

BOESMAN, ER ^{[1
]}

机构：

[1] STATE UNIV GHENT,ANALYT CHEM LAB,B-9000 GHENT,BELGIUM

来源：

BULLETIN DES SOCIETES CHIMIQUES BELGES | 1992年 / 101卷 / 11期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A finite difference Levenberg-Marquardt algorithm is used for optimizing the principal g tensor values of paramagnetic radicals observed in EPR spectra of polycrystalline materials. A special method is presented to select a small number of data points which are assumed to be representative for the entire EPR powder spectrum. Thus, the spectrum has only to be calculated in a small number of points resulting in a drastic reduction of the computer time. The method is demonstrated on two simulated EPR powder spectra and one experimentally recorded spectrum of X-irradiated powdered human tooth enamel.

引用

页码：915 / 921

页数：7

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