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Solid state EPR simulation with use of more than one nuclei

Posted: Wed Nov 06, 2024 5:12 am
by aip@iomc.ras.ru

Dear Colleagues,
may be you can help me to solve my problem:
I need to simulate anisotropic EPR spectrum of axial symmetry, where spectral components contain HFS on a number of nuclei. I tried to use pepper but it writes that papper doesn't support more than one nuclei (Simulation function error: pepper does not support sets of equivalent nuclei (Sys.n>1).)
How can I solve this situation?
Thank you, Andrei


Re: Solid state EPR simulation with use of more than one nuclei

Posted: Wed Nov 06, 2024 2:45 pm
by Stefan Stoll

Repeat the nucleus and the hyperfine principal values several times. Example:

Code: Select all

A1 = [10 12 45];
Sys.Nucs = '1H,1H,1H';
Sys.A = [A1; A1; A1];

Re: Solid state EPR simulation with use of more than one nuclei

Posted: Fri Nov 08, 2024 3:04 am
by aip@iomc.ras.ru

Thank you very much!


Re: Solid state EPR simulation with use of more than one nuclei

Posted: Fri Nov 08, 2024 3:37 am
by katarkon

Alternatively, You may use custom simulation function.