ESEEM simulation software

Abstract The analysis of ESR, ENDOR, and ESEEM data to extract the resonance parameters is treated. Free radicals in solution are mainly identified by their hyper-fine couplings (hfc). The analysis of ESR and ENDOR spectra by visual inspection and by computer simulation is discussed. The Schonland method to obtain the principal values and directions of the anisotropic g- and hfc- tensors from single crystal ESR and ENDOR data is presented. The modifications needed when 5 > A or / > A to obtain zero-field splitting ( i) or nuclear quadrupole coupling (nqc) tensors are considered. Examples of simulations to extract g-, hfc-, Tfs-, and n c-tensors from ESR and ENDOR spectra of disordered systems are presented. Simulation methods in pulsed ESR (1- and 2-dimensional ESEEM) studies are exemplified. Internet addresses for down-loading software for the simulation of ESR, ENDOR, and ESEEM spectra are provided. Software for the analysis of single crystal data by the Schonland method is also available. 

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