Ab Initio Approach to the Structure, Vibrational Properties, and Electron Binding Energies of H(2)S∙∙∙SO(2)

The present study employs high-level ab initio calculations to investigate the structure, vibrational frequencies, and electronic properties of H(2)S∙∙∙SO(2). The analysis of vibrational frequencies reveals an intramolecular vibrational energy transfer phenomenon, where energy from the stretching mo...

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Detalles Bibliográficos
Autores principales: Magalhães, Isaac O. M., Cabral, Benedito J. C., Martins, João B. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10535889/
https://www.ncbi.nlm.nih.gov/pubmed/37764431
http://dx.doi.org/10.3390/molecules28186656

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10535889/
https://www.ncbi.nlm.nih.gov/pubmed/37764431
http://dx.doi.org/10.3390/molecules28186656

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