COMPARE: A Computer Program for Comparative Analysis of EPR Data for Low-Symmetry Paramagnetic Centers

摘要

A quantitative method has been proposed for comparative analysis of EPR (electron paramagnetic resonance) data for low- symmetry paramagnetic centers and a computer program, COMPARE, based on this method has been developed. Quantitative parameters S_A and S_D are introduced to describe the closeness of the orientation of any two-axis systems and the principal values of any two tensors, respectively. The method helps to identify the pairs of data sets, comprising the principal values as well as the orientations of the principal axes of the second-rank spin Hamiltonian terms, which may likely belong to the same physical center but have been ascribed to distinct centers. Other useful applications of the program COMPARE are briefly discussed.