CW-EPR Spectral Simulations: Solid State.

  title={CW-EPR Spectral Simulations: Solid State.},
  author={Stefan Stoll},
  journal={Methods in enzymology},
This chapter summarizes the core concepts underlying the simulation of EPR spectra from biological samples in the solid state, from a user perspective. The key choices and decisions that have to be made by a user when simulating an experimental EPR spectrum are outlined. These include: the choice of the simulation model (the network of spins and the associated spin Hamiltonian), the dynamic regime (solid, liquid, slow motion), the level of theory used in the simulation (matrix diagonalization… CONTINUE READING

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