Simulation of powder EPR spectra with axial symmetry

Published: 1 January 1982| Version 1 | DOI: 10.17632/x98fsssxyf.1
R.S. de Biasi, J.A.M. Mendonça


Title of program: SIMULAPO Catalogue Id: AAOF_v1_0 Nature of problem The determination of the spin Hamiltonian parameters from powder spectra often requires a full simulation of the spectrum, especially when the zero-field parameters are of the same order as the Zeeman term. This program calculates the first derivative of the EPR absorption spectrum of powder samples using the following approximations: i) the paramagnetic species is randomly distributed in space; ii) the linewidth is isotropic and is the same for all transitions. Versions of this program held in the CPC repository in Mendeley Data AAOF_v1_0; SIMULAPO; 10.1016/0010-4655(82)90063-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Crystallography, Computational Physics