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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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI AG
2023-09-01
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| Serie: | Molecules |
| Soggetti: | |
| Accesso online: | https://www.mdpi.com/1420-3049/28/18/6656 |
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