Calculation of hyperfine coupling constant and the g tensor of alanine radicals at different crystal temperatures based on Density Functional Theory (DFT)
In this paper, Density Functional Theory (DFT) was utilized for the calculation of the hyperfine coupling constant and the g tensor alanine radicals at different crystal temperatures. The cluster approach was used for considering the effects of crystal environment. In the cluster approach, the caref...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Isfahan University of Technology
2019-03-01
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| Series: | Iranian Journal of Physics Research |
| Subjects: | |
| Online Access: | http://ijpr.iut.ac.ir/browse.php?a_code=A-10-3195-1&slc_lang=en&sid=1 |