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Kircheva, Nikoleta; Dobrev, Stefan; Dasheva, Lyubima; Koleva, Iskra; Nikolova, Valya; Angelova, Silvia; Dudev, Todor

Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition

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  • Media type: E-Article
  • Title: Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition
  • Contributor: Kircheva, Nikoleta; Dobrev, Stefan; Dasheva, Lyubima; Koleva, Iskra; Nikolova, Valya; Angelova, Silvia; Dudev, Todor
  • imprint: Royal Society of Chemistry (RSC), 2020
  • Published in: RSC Advances
  • Language: English
  • DOI: 10.1039/d0ra04387g
  • ISSN: 2046-2069
  • Origination:
  • Footnote:
  • Description: <p>Interaction between CB[<italic>n</italic>] (<italic>n</italic> = 5–8) and biologically essential mono- and divalent metal cation.</p>
  • Access State: Open Access