Thank you so much for your help!
The reference paper was 'Inorg. Chem. 1994, 33, 382-387' in which they simulated the weakly coupled Mn III/IV dimer.
I wanted to try those parameters.
Thank you again!
sincerely yours,
Sung Eun Jerng
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- Fri Dec 18, 2015 3:59 pm
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- Topic: question on the weakly coupled MnIII-MnIV dimer
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- Fri Dec 18, 2015 3:08 pm
- Forum: General forum
- Topic: question on the weakly coupled MnIII-MnIV dimer
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question on the weakly coupled MnIII-MnIV dimer
I have a question on the weakly coupled MnIII-MnIV dimer simulation. I would like to simulate the parameters from reference paper. The given parameters are as follows: MnIII, MnIV g(perp) = 2.01, g(para)= 1.93, A(III) = (-375, -375, -412) MHz, A(IV) = (145,145,402) Mhz which correspond to intrinsic ...