PM3 and DFT Computational Studies of the Reaction Mechanism of Formaldehyde and Isoleucine
The reaction of formaldehyde and Isoleucine was studied using semi-empirical and density functional theory methods. Possible reactive sites are proposed and reaction mechanism postulated. It was found that the Isoleucine nitrogen attacks the carbonyl carbon of formaldehyde and forms a methylol inter...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Syiah Kuala University
2016-04-01
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| Series: | Aceh International Journal of Science and Technology |
| Online Access: | http://jurnal.unsyiah.ac.id/AIJST/article/view/3838 |