External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes

External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes

For the first time, σ-hole interactions within like⋯like carbon-containing complexes were investigated, in both the absence and presence of the external electric field (EEF). The effects of the directionality and strength of the utilized EEF were thoroughly unveiled in the (F-C-F<sub>3</sub...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Afnan A. K. Kamel, Mohammed N. I. Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammed A. S. Abourehab, Ahmed M. Shawky, Eslam B. Elkaeed, Mahmoud E. S. Soliman
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Molecules
Subjects:
noncovalent interaction
σ-hole interactions
like⋯like complexes
EEF
SAPT
Online Access:https://www.mdpi.com/1420-3049/27/9/2963

Internet

https://www.mdpi.com/1420-3049/27/9/2963

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