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• W3137033853 endingPage "138522" @default.
• W3137033853 startingPage "138522" @default.
• W3137033853 abstract "Selected systems bearing carbon-chlorine (CCl) bond and their complexes with two representative Lewis bases have been examined by means of quantum-chemistry DFT calculations to gain a deeper insight into the parameters affecting the halogen bond (XB) interaction. The dependence of the C hybridization (sp, sp2, sp3) and induction (by replacing the H atoms with the F electron-withdrawing atoms) on the polar flattening (PF), the σ-hole and the charge transfer (CT) in the XB complex has been unraveled." @default.
• W3137033853 created "2021-03-29" @default.
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• W3137033853 date "2021-05-01" @default.
• W3137033853 modified "2023-10-18" @default.
• W3137033853 title "Halogen bond interaction: Role of hybridization and induction" @default.
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• W3137033853 doi "https://doi.org/10.1016/j.cplett.2021.138522" @default.
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