Modulating stability of functionalized fullerene cations [R-C<sub>60</sub> ]<sup>+</sup> with the nature of R-group.

Li, Jingbai; Tadakamalla, Divya; Rogachev, Andrey Yu

Modulating stability of functionalized fullerene cations [R-C₆₀ ]⁺ with the nature of R-group.

Li, Jingbai; Tadakamalla, Divya; Rogachev, Andrey Yu.

Afiliación

Li J; Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois, 60616.
Tadakamalla D; Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois, 60616.
Rogachev AY; Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois, 60616.

J Comput Chem ; 39(28): 2385-2396, 2018 Oct 30.

Article en En | MEDLINE | ID: mdl-30306575

Palabras clave

DFT; EDA; NBO; fullerenes; functionalized cations

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article