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Toward Understanding the Isomeric Stability of Fullerenes with Density Functional Theory and the Information-Theoretic Approach

[Image: see text] For a given size of one fullerene molecule, there could exist many different isomers and their energy landscape is remarkably complex. To have a better understanding of the nature and origin of their isomeric stability, as a continuation of our previous endeavors, we systematically...

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Detalles Bibliográficos
Autores principales: Zhao, Dongbo, Liu, Siyuan, Rong, Chunying, Zhong, Aiguo, Liu, Shubin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643390/
https://www.ncbi.nlm.nih.gov/pubmed/31458389
http://dx.doi.org/10.1021/acsomega.8b02702