COMPUTER-SIMULATION OF MAGNETIC-RESONANCE SPECTRA EMPLOYING HOMOTOPY

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 ap plication 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 envel ope modulation, solid-state nuclear magnetic resonance, and nuclear qu adrupole resonance spectra. (C) 1998 Academic Press.