EPR Simulations with SimFonia Software
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
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
Simulation of powder spectra using Simfonia:
- Determination of starting parameters from experiment
- Paramagnetic species with different anisotropy of g-factor and hyperfine splitting, examples