EasySpin forum

Dear all, I'm trying to simulate the EPR spectrum for a radical pair system using garlic. I have tried to match the simulated spectrum as close to the experimental data but the result still show deviations from the experimental one. How can I improve the simulation furthermore, so that it exactly ma...

Thank you Dr. Matt for the prompt reply, it really helped me resolve the simulation error. I'm new to EPR and am trying to simulate the radical pair formed on photoexcitation of donor-acceptor (D-A) system. However I'm not sure of a spin correlated radical pair in my D-A system as we aren't seeing a...

Dear all, I'm trying to simulate the experimental EPR spectrum for a donor-acceptor radical pair (D.+ and A.-) system. I started with garlic for the simulation with the following matlab code g1 = 2.012; g2 = 2.0023; A1 = mt2mhz([16.9,10.9]/10); A2 = mt2mhz(9/10); Sys.A = struct('S1',1/2,'Nucs','1H,1...

Thank you very much sir...

Dear all, I'm new to EPR and EPR simulation. Recently I have performed EPR experiment on my donor-acceptor dyad to characterise the photogenerated radical species. I have obtained hyperfine resolved spectrum for the radical pairs at 77 K under light illumination condition. I want to simulate the EPR...