Potential of Sumanene Modified with Boron and Nitrogen Atoms for Adsorption of Carbon Dioxide: DFT and SAPT Study
| Autor: | Sanja J. Armaković, Stevan Jankov, Elvira Đurđić, Željka Cvejić, Sonja Skuban, Stevan Armaković |
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| Rok vydání: | 2019 |
| Předmět: |
chemistry.chemical_classification
Binding energy chemistry.chemical_element lcsh:A Photochemistry Nitrogen noncovalent interactions chemistry.chemical_compound density functional theory (DFT) Adsorption chemistry adsorption Carbon dioxide Sumanene Molecule Non-covalent interactions CO2 lcsh:General Works Boron binding energies symmetry-adapted perturbation theory (SAPT) |
| Zdroj: | Proceedings, Vol 15, Iss 1, p 28 (2019) |
| DOI: | 10.3390/proceedings2019015028 |
| Popis: | Buckybowls are organic, curved and bowl-shaped molecules whose main representatives arecorannulene and sumanene [...] |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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