Er@C82 的计算异构体群

IF 2.1 4区材料科学 Q3 CHEMISTRY, PHYSICAL

Fullerenes, Nanotubes and Carbon Nanostructures Pub Date : 2024-05-31 DOI:10.1080/1536383x.2024.2356217

Zdeněk Slanina, Filip Uhlík, Shuaifeng Hu, Takeshi Akasaka, Xing Lu, Ludwik Adamowicz

引用次数: 0

摘要

在高温合成条件下，利用基于特征的吉布斯能计算了Er@C82的四种能量最低的IPR（孤立五边形规则）异构体的相对数量。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Calculated isomeric populations of Er@C82

Relative populations of the four energy-lowest IPR (isolated-pentagon-rule) isomers of Er@C82 under the high-temperature synthetic conditions are computed using the Gibbs energy based on characteri...

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来源期刊

Fullerenes, Nanotubes and Carbon Nanostructures 工程技术-材料科学：综合

CiteScore

4.80

自引率

17.40%

发文量

审稿时长

1 months

期刊介绍： The international and interdisciplinary forum, Fullerenes, Nanotubes, and Carbon Nanostructures , aims at publishing peer-reviewed research of original work in all areas of CARBON research including fullerenes, nanotubes, nanodiamond, graphene, any type of carbon nanostructure and any work dealing with carbon and carbon-related topics. Publishing high quality papers from all fields of carbon science and related topics, the journal intends to provide a means of communication between researchers who are interested in fundamental and applied carbon science issues.