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1,3-Dioxane inside fullerenes: the innovative conformational behavior of usual cyclic system
Fullerenes, Nanotubes and Carbon Nanostructures ( IF 2.3 ) Pub Date : 2020-10-09 , DOI: 10.1080/1536383x.2020.1825953
Albina E. Kuramshina 1 , Svetlana A. Bochkor 1 , Valerij V. Kuznetsov 1, 2
Affiliation  

Conformational transformations of unsubstituted 1,3-dioxane in the cavities of fullerenes with 60, 70 and 80 atoms in their shells have been investigated using PBE/3ζ density functional theory meth...

中文翻译:

富勒烯内的 1,3-二恶烷:通常环状体系的创新构象行为

使用 PBE/3ζ 密度泛函理论方法研究了未取代的 1,3-二恶烷在壳中具有 60、70 和 80 个原子的富勒烯的空腔中的构象转变。
更新日期:2020-10-09
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