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

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