MOLVIB vs VEDA. Revealing the best program to generate safe and reliable vibrational analysis
In this investigation, complete assignments performed with the MOLVIB program for the two Cis and Trans conformers of 4-Chloro-3-fluorobenzaldehyde optimized at the B3LYP/6–311+G(3df,p) level of theory, the two 4-Amino-3-(4- hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione and thiol tautomers by using...
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Elsevier
2025-12-01
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| Col·lecció: | Chemical Physics Impact |
| Matèries: | |
| Accés en línia: | http://www.sciencedirect.com/science/article/pii/S2667022425000842 |
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