EasySpin forum

Thanks for your detailed answer, Matt! It definitely makes sense to me for the doublet-doublet pair. Regarding the triplet-doublet pair: The code I used to generate the spectrum is the same as in my first post extended by Opt.Threshold = 0; Opt.GridSize = [300, 0]; I totally understand that it is ce...

Thank you very much for the reply and I apologize for reporting a known issue here. Nevertheless, I have another question: I have implemented your suggested solution and in the case of the boltzmann-populated doublet-doublet pair it works great. However, if I select a singlet precursor, suddenly onl...

When using the ‘pepper’ function, very strange spectra occur for coupled systems in the vicinity of anticrossings between the levels. As an example, I have simulated two such spectra, one for a doublet-doublet pair and one for a triplet-doublet pair: ddp.png tdp.png It doesn't matter whether you use...