Simulation of EPR-spectra of randomly oriented samples
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资源简介：
Title of program: POWDER
Catalogue Id: ABVG_v1_0
Nature of problem
The EPR spectra of polycrystalline paramagnetic samples exhibits often complex features due to hyperfine and/or dipole-dipole and/or quadrupole interaction of the electronic and nuclear spins. This program calculates the first derivative of the EPR absorption spectrum of randomly oriented samples using the following approximations: i) the eigenvalues of the spin Hamiltonian are given by second order perturbation theory; ii) theintensities of the EPR transitions are determined by Zeeman interacti ...
Versions of this program held in the CPC repository in Mendeley Data
ABVG_v1_0; POWDER; 10.1016/0010-4655(81)90015-1
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
