Theoretical and computational study of benzenium and toluenium isomers

Four methods of computational quantum chemistry are used in a study of hyperconjugation in protonated aromatic molecules. Benzene, benzenium, toluene, and four isomeric forms of toluenium are examined using the self-consistent field level of theory followed by configuration interaction and coupled c...

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Detalles Bibliográficos
Autores principales: Tchodimo, Falonne C. Moumbogno, Ermler, Walter C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10646329/
https://www.ncbi.nlm.nih.gov/pubmed/38025065
http://dx.doi.org/10.3389/fchem.2023.1253599

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10646329/
https://www.ncbi.nlm.nih.gov/pubmed/38025065
http://dx.doi.org/10.3389/fchem.2023.1253599

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