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Halogen bonding. The role of the polarizability of the electron-pair donor
(Royal Society of Chemistry, 2016)
The nature of F–Br X–R interactions (with X = F, Cl, Br, I and R = –H, –F) has been investigated
through theoretical calculation of molecular potential electrostatic (MEP), molecular polarizability, atoms
in molecules ...
Double hole lump interaction between halogen atoms
(American Chemical Society, 2015-03-31)
In this paper a theoretical study has been
carried out to investigate the nature of the unusual halogen−
halogen contacts in the complexes R−X···X−R (with R = −H,
−Cl, −F and X = Cl, Br, I). AIM, NBO, and MEP analyses
have ...
Simultaneous occurrence of quadruple lewis acid–base interactions between selenium atoms in selenocarbonyl dimers
(Wiley VCH Verlag, 2017)
High-level quantum chemical calculations are performed to investigate
C=Se···Se=C interactions. Bounded structures are
found with binding energies between @4 and @7 kJmol@1. An
energy decomposition analysis shows that ...