A NEW APPROACH FOR THE SIMULATION OF ESR LINESHAPES OVER A LARGE RANGE OF CORRELATION TIMES

被引：7

作者：

EVIATAR, H

VANFAASSEN, E

LEVINE, YK

机构：

[1] Department of Molecular Biophysics, Buys Ballot Laboratory, Utrecht, 3584 CC

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 195卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(92)86141-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new approach for the simulation of ESR lineshapes over a range of correlation times extending from the Redfield limit to the rigid limit is described. The use of a separable operator for the dynamics of a spin label in a uniaxial liquid crystal ("Kangaroo dynamics") allows an algebraic solution of the stochastic Liouville equation. This procedure avoids the numerical instability resulting from clustering of eigenvalues inherent in the conventional solution using an eigenfunction expansion.

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页码：233 / 238

页数：6

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