Solid state EPR simulation with use of more than one nuclei

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aip@iomc.ras.ru
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Solid state EPR simulation with use of more than one nuclei

Post 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

Stefan Stoll
EasySpin Creator
Posts: 1106
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

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

Post 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];
aip@iomc.ras.ru
Newbie
Posts: 2
Joined: Wed Nov 06, 2024 5:01 am

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

Post by aip@iomc.ras.ru »

Thank you very much!

katarkon
Local Expert
Posts: 193
Joined: Mon Jan 12, 2015 4:01 am

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

Post by katarkon »

Alternatively, You may use custom simulation function.

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