Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions
In this study, the optimal geometry and vibrational assignments of 2-methyl-4-hydro-1,3,4-triazol-thione-5, one of the triazole derivatives, were analysed by the DFT approach and vibrational spectroscopy. PED values were calculated, and vibrational assignments were determined. Experimental results s...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-05-01
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| Series: | Journal of King Saud University: Science |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364724000764 |