SimFonia

SimFonia is an invaluable tool for exploring the interactions commonly encountered in CW EPR spectroscopy.  The full range of interactions includes electronic Zeeman, nuclear quadrupole, nuclear hyperfine, nuclear Zeeman and zero field splitting. SimFonia employs a set of fast and efficient perturbation theory algorithms to quickly explore the parameter spaces involved in powder and solution spectra. This quick feedback in turn increases overall productiveness by allowing focused exploration of the spin system at hand.

SimFonia accurately simulates both solution and powder signals.  Solution signals can included instrumental effects such as modulation amplitude and receiver time constant to account for line shape distortions or line broadening.  While powder signal simulations can include the electron Zeeman, hyperfine, quadrupolar, and interactions where the principle axes of the tensors need not coincide.  Additional features, such as the zero field splitting parameters D and E for describing spin systems with S > ½ and easy definition of coupled nuclei including isotopes via a periodic table of the elements, extend the range of systems available for simulation.

SimFonia presents a set of elementary processing routines for a quick analysis of the simulation.  If extended post-processing is desired, data from SimFonia can be transferred to WinEPR with a simple mouse click