Topological charges of fullerenes
Abstract We defined the topological charge and bump number for fullerenes. All even fullerene isomers from %$C_{20}%$ up to %$C_{70}%$ were constructed. After optimizing the geometry of the molecules the relation between the topological charge, the bump number and the atomization energy were analysed..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:61 |
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| Enthalten in: |
Journal of mathematical chemistry - 61(2022), 2 vom: 31. Mai, Seite 335-342 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Udvardi, László [VerfasserIn] |
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| Links: |
Volltext [kostenfrei] |
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| Themen: |
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| Anmerkungen: |
© The Author(s) 2022 |
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| doi: |
10.1007/s10910-022-01354-7 |
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| funding: |
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| 520 | |a Abstract We defined the topological charge and bump number for fullerenes. All even fullerene isomers from %$C_{20}%$ up to %$C_{70}%$ were constructed. After optimizing the geometry of the molecules the relation between the topological charge, the bump number and the atomization energy were analysed. | ||
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