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在交换影响可观测得到的温度范围内作定态全线型拟合是确定速率常数和活化参数的最佳方法。对弱偶合交换体系,理论线型可用改型的Bloch方程计算,但强偶合体系就需作全密度矩阵处理。本文的目的是说明如何用密度矩阵方法计算线型。内容包括密度矩阵的基本理论,以及密度矩阵理论在分子内和分子间交换体系的NMR线型计算中的应用。
A fully linear fit of the states over the observable temperature range of exchange effects is the best way to determine the rate constants and activation parameters. For the weakly coupled exchange system, the theoretical linear model can be modified Bloch equation calculation, but the strong coupling system is required for full density matrix processing. The purpose of this article is to illustrate how to use the density matrix method to calculate line types. The content includes the basic theory of density matrix and the application of density matrix theory in NMR linear calculation of intramolecular and intermolecular exchange systems.