Ab Initio Approach to the Structure, Vibrational Properties, and Electron Binding Energies of H<sub>2</sub>S∙∙∙SO<sub>2</sub>
The present study employs high-level ab initio calculations to investigate the structure, vibrational frequencies, and electronic properties of H<sub>2</sub>S∙∙∙SO<sub>2</sub>. The analysis of vibrational frequencies reveals an intramolecular vibrational energy transfer phenomenon, where energy from...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2023-09-01
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| Col·lecció: | Molecules |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1420-3049/28/18/6656 |
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