DFT and PM3 Computational Studies of the Reaction Mechanism of the Oxidation of L-Tyrosine by Iodine in the Gas Phase
Abstract - The oxidation of L-Tyrosine by molecular iodine was studied using semi-empirical and density functional theory methods. Molecular information such as net charges, values of frontier orbital energies, composition, proportions and bonding contribution were obtained and analyzed. Thus, possi...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Syiah Kuala University
2014-07-01
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| Series: | Aceh International Journal of Science and Technology |
| Subjects: | |
| Online Access: | https://jurnal.usk.ac.id/AIJST/article/view/1485 |
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