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Relationships between Interaction Energy and Electron Density Properties for Homo Halogen Bonds of the [(A)(n)Y–X···X–Z(B)(m)] Type (X = Cl, Br, I)

Relationships between interaction energy (E(int)) and electron density properties at the X···X bond critical point or the d(X···X) distance were established for the large set of structures [(A)(n)Y–X···X–Z(B)(m)] bearing the halogen bonds Cl···Cl, Br···Br, and I···I (640 structures in total). The be...

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Dettagli Bibliografici
Pubblicato in:Molecules
Autore principale: Kuznetsov, Maxim L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6695802/
https://ncbi.nlm.nih.gov/pubmed/31357615
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24152733
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