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https://scidar.kg.ac.rs/handle/123456789/10696
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DC Field | Value | Language |
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dc.contributor.author | Ćoćić, Dušan | - |
dc.contributor.author | Puchta, Ralph | - |
dc.contributor.author | van Eldik R. | - |
dc.date.accessioned | 2021-04-20T16:25:38Z | - |
dc.date.available | 2021-04-20T16:25:38Z | - |
dc.date.issued | 2020 | - |
dc.identifier.issn | 0095-8972 | - |
dc.identifier.uri | https://scidar.kg.ac.rs/handle/123456789/10696 | - |
dc.description.abstract | © 2020 Informa UK Limited, trading as Taylor & Francis Group. With the application of DFT calculations (ωB97XD/def2-SVP/SVPfit), the ability and mechanism of noble gas encapsulation by cryptophane was investigated. Based on the applied model reaction, by monitoring geometric changes and investigating the non-covalent interactions between the studied hosts and the noble gases, the size of the host did not necessarily play a decisive role in the selective encapsulation of the guests. Rather the adjustment of the host’s interior and functionalization of its “gates” can be significant in tuning the affinity of cryptophanes. | - |
dc.rights | restrictedAccess | - |
dc.source | Journal of Coordination Chemistry | - |
dc.title | Noble guests in organic cages–encapsulation of noble gases by cryptophane | - |
dc.type | article | - |
dc.identifier.doi | 10.1080/00958972.2020.1820494 | - |
dc.identifier.scopus | 2-s2.0-85091300173 | - |
Appears in Collections: | Faculty of Science, Kragujevac |
Files in This Item:
File | Description | Size | Format | |
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PaperMissing.pdf Restricted Access | 29.86 kB | Adobe PDF | View/Open |
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