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Type I–IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers

In the current study, unexplored type IV halogen⋯halogen interaction was thoroughly elucidated, for the first time, and compared to the well-established types I–III interactions by means of the second-order Møller–Plesset (MP2) method. For this aim, the halobenzene⋯halobenzene homodimers (where halo...

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Detalles Bibliográficos
Autores principales: Ibrahim, Mahmoud A. A., Saeed, Rehab R. A., Shehata, Mohammed N. I., Ahmed, Muhammad Naeem, Shawky, Ahmed M., Khowdiary, Manal M., Elkaeed, Eslam B., Soliman, Mahmoud E. S., Moussa, Nayra A. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8953242/
https://www.ncbi.nlm.nih.gov/pubmed/35328534
http://dx.doi.org/10.3390/ijms23063114