Potential of Sumanene Modified with Boron and Nitrogen Atoms for Adsorption of Carbon Dioxide: DFT and SAPT Study

Potential of Sumanene Modified with Boron and Nitrogen Atoms for Adsorption of Carbon Dioxide: DFT and SAPT Study

Buckybowls are organic, curved and bowl-shaped molecules whose main representatives are<br />corannulene and sumanene [...]

Bibliographic Details
Main Authors: Stevan Armaković, Sanja J. Armaković, Sonja Skuban, Elvira Đurđić, Stevan Jankov, Željka Cvejić
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Proceedings
Subjects:
Sumanene
adsorption
CO2
density functional theory (DFT)
symmetry-adapted perturbation theory (SAPT)
binding energies
noncovalent interactions
Online Access:https://www.mdpi.com/2504-3900/15/1/28

Internet

https://www.mdpi.com/2504-3900/15/1/28

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