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Computer simulation of magnetic resonance spectra employing homotopy
K E Gates1, M Griffin, G R Hanson
1Department of Mathematics, The University of Queensland, St. Lucia, Queensland, 4072, Australia. keg@maths.eq.edu.au
Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|November 4, 1998
Abstract:
Multidimensional homotopy provides an efficient method for accurately tracing energy levels and hence transitions in the presence of energy level anticrossings and looping transitions. Herein we describe the application and implementation of homotopy to the analysis of continuous wave electron paramagnetic resonance spectra. The method can also be applied to electron nuclear double resonance, electron spin echo envelope modulation, solid-state nuclear magnetic resonance, and nuclear quadrupole resonance spectra.