EasySpin forum

I've an error when I constructed 2 systems in easyspin-5.2.25 that affacted by few protons. Here is my code clear all clc; [numbers,strings] = xlsread('RAWDATA','RAWDATA'); XDATA = numbers(:,1); YDATA = datasmooth(numbers(:,3),40,'binom'); FitOpt.Method = 'simplex'; FitOpt.Scaling = 'maxabs'; AmT2MH...

I changed manually in quantum chemistry program. It reported g tensor different when I change position of C-atom on glucose ring. What is the reason of position dependence for g tensor? For hyperfine tensor,is it relate to C-atom position or surrounding protons or O-atom in the molecule?

Dear all members, I have a question about Landé g-value in hyperfine interaction. When I fixed a single molecule, such as, glucose and I changed radical position from C(1) to another, g-values are different. Are there effects of magnetic filed interaction between surrounding protons (since O-16 and ...

I have found that the code was error after I write a code for 6 systems by using pepper function. In each system contains hyperfine coupling constant tensor by dependence to nucleus of hydrogen. Then I run the code, there is error code that I gave " Error using pepper The system contains A and/...

I'm going to simulate the ESR spectrum of rice as a solid sample by using the modified code from somewhere in this forum. My code is shown as clear all [B,spc]=eprload('LMU_9JUNE2017.DTA'); % isotropy g_G1xy = 2.005018556; g_G1z = g_G1xy; g_G2xy = 2.003566917; g_G2z = g_G2xy; %% line width lwGL1 = 1...

Thanks very much. I will try it!

Hi! everyone. I'm trying to fit my experimental result from EPR spectrometer by EasySpin on MatLab. My spectra file were saved in form .DTA and .DSC. So, I wrote MaTLab for analysis this following by the code clear [spc,Params,B] = eprload('1KGY1OCT2016.DSC'); spc = addnoise(spc,0.000000000000000000...