New Volleyballenes: Y20C60 and La20C60
Two new stable Volleyballenes, the Y20C60 and La20C60 molecular clusters, are proposed on the basis of first-principles density functional theory. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a general class of stable molecul...
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| Format: | Online |
| Language: | English |
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Nature Publishing Group
2016
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4973237/ |
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pubmed-49732372016-08-11 New Volleyballenes: Y20C60 and La20C60 Wang, Jing Liu, Ying Article Two new stable Volleyballenes, the Y20C60 and La20C60 molecular clusters, are proposed on the basis of first-principles density functional theory. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a general class of stable molecules within the fullerene family. Both Y20C60 and La20C60 molecules have Th point group symmetries and relatively large HOMO-LUMO gaps. Nature Publishing Group 2016-08-04 /pmc/articles/PMC4973237/ /pubmed/27487765 http://dx.doi.org/10.1038/srep30875 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Wang, Jing Liu, Ying |
| spellingShingle |
Wang, Jing Liu, Ying New Volleyballenes: Y20C60 and La20C60 |
| author_facet |
Wang, Jing Liu, Ying |
| author_sort |
Wang, Jing |
| title |
New Volleyballenes: Y20C60 and La20C60 |
| title_short |
New Volleyballenes: Y20C60 and La20C60 |
| title_full |
New Volleyballenes: Y20C60 and La20C60 |
| title_fullStr |
New Volleyballenes: Y20C60 and La20C60 |
| title_full_unstemmed |
New Volleyballenes: Y20C60 and La20C60 |
| title_sort |
new volleyballenes: y20c60 and la20c60 |
| description |
Two new stable Volleyballenes, the Y20C60 and La20C60 molecular clusters, are proposed on the basis of first-principles density functional theory. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a general class of stable molecules within the fullerene family. Both Y20C60 and La20C60 molecules have Th point group symmetries and relatively large HOMO-LUMO gaps. |
| publisher |
Nature Publishing Group |
| publishDate |
2016 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4973237/ |
| _version_ |
1613621233627168768 |