The computational study of the tautomerization of Dacarbazine in a biological system: The DFT approach
The aim of this study was to examine dacarbazine tautomerization with the density functional theory, where two tautomer structures have been indicated. The B3LYP/ 6-311G++ (d, p) , 6-311(d, p), and 6-311 quantum methods were considered to calculate the relative energies transferred between two struc...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Iranian Research Organization for Science and Technology (IROST)
2020-04-01
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| Series: | Journal of Particle Science and Technology |
| Subjects: | |
| Online Access: | https://jpst.irost.ir/article_1021_b75c1c1e0a305da45285e80d2c3ea677.pdf |