Training

EPR Simulations with SimFonia Software

Day 1

Day 1

Introduction to the basic theory of EPR:

  • Spin-Hamiltonian, basic EPR parameters: g-factor, hyperfine splitting, zero-field splitting, line shape
  • Anisotropy of the EPR parameters
  • Effects of molecular motion, Kivelson theory

Day 2

Day 2

Simulation of solution spectra using Simfonia:

  • Determination of starting parameters from experiment 
  • Simulation of multiple hyperfine splittings
  • Simulation of isotope features at natural abundance
  • Simulation of molecular motion using the Kivelson theory

Day 3

Day 3

Simulation of powder spectra using Simfonia:

  • Determination of starting parameters from experiment 
  • Paramagnetic species with different anisotropy of g-factor and hyperfine splitting, examples

SimFonia Manual