A Look at the Spatial Confining Effect on the Molecular Electrostatic Potential (MEP)—A Case Study of the HF and BrCN Molecules

In this theoretical study, we report on the molecular electrostatic potential (MEP) of titled molecules confined by repulsive potentials of cylindrical symmetry mimicking a topology. Our calculations show that the spatial restriction significantly changes the picture of the MEP of molecules in a qua...

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Detalles Bibliográficos
Autores principales: Lipkowski, Paweł, Kozłowska, Justyna, Bartkowiak, Wojciech
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512269/
https://www.ncbi.nlm.nih.gov/pubmed/34641468
http://dx.doi.org/10.3390/molecules26195924

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512269/
https://www.ncbi.nlm.nih.gov/pubmed/34641468
http://dx.doi.org/10.3390/molecules26195924

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