EasySpin forum

Thanks Stefan!! It makes sense but I am still a bit confused about this For example, If I have a Fe(III) complex with D = [1 0.1 ]cm-1. Now, if I apply Dstrain = [0.1 0.01] cm-1. That means D will have a gaussian profile over a range of D+- DStrain. Thus, DstrainCorr would be a number for each confi...

Dear all,

Can somebody please explain me what does the correlation coefficient DStrainCorr means in EasySpin? How the value of this parameter can be interpreted in terms of an electron structure of high spin system?

Thanks in advance!

Hello, I am trying to simulate 3 pulse ESEEM spectrum at X-band. Is there any limitation on number of nuclei? If i simulate proton and boron separately, it works but on incorporating both nuclei proton peaks disappear. Any ideas, why? See below for part of the code: clear all; Sys1 = struct('S',1/2,...

Hello everyone, I am trying to simulate 3 pulse ESEEM experiment for the first time. I was wondering, if Saffron can be used for simulating the ESEEM spectrum in exact or near cancellation condition? Most of the literature on exact cancellation condition, I have found or read consist of remote nitro...