Abstract:
The trends of stability and polarizability have been computationally deduced for the sets of oxygen-containing fullerene derivatives C60O, C60O2 and C60O3 (2, 11 and 68 isomers, respectively).
Keywords:
fullerene oxides, stability, polarizability, isomerism, density functional theory methods.
Citation:
D. Sh. Sabirov, “Fullerene compounds with general formulae C60Ox (x=1–3): Isomerism, stability and polarizability”, Mendeleev Commun., 30:1 (2020), 91–93
Linking options:
https://www.mathnet.ru/eng/mendc1111
https://www.mathnet.ru/eng/mendc/v30/i1/p91
This publication is cited in the following 2 articles:
Zemfira S. Kinzyabaeva, Glyus L. Sharipov, Denis Sh. Sabirov, “The first steps toward C70 cycloadducts with a sulfur–fullerene bond: a selective sonochemical synthesis of single C70–1,4-oxathiane”, Fullerenes, Nanotubes and Carbon Nanostructures, 29:2 (2021), 137
Naveen Kosar, Hira Tahir, Khurshid Ayub, Tariq Mahmood, “DFT studies of single and multiple alkali metals doped C24 fullerene for electronics and nonlinear optical applications”, Journal of Molecular Graphics and Modelling, 105 (2021), 107867