Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition
Author:
Affiliation:
1. Institute of Optical Materials and Technologies “Acad. J. Malinowski”
2. Bulgarian Academy of Sciences
3. 1113 Sofia
4. Bulgaria
5. Faculty of Chemistry and Pharmacy
6. Sofia University “St. Kl. Ohridski”
7. 1164 Sofia
Abstract
Interaction between CB[n] (n = 5–8) and biologically essential mono- and divalent metal cation.
Funder
Bulgarian National Science Fund
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA04387G
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