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- W2395127111 abstract "This paper uses the density functional theory to analyse the stabilities, bond characters, static linear polarisabilities, and aromaticities of the ?in-out? isomerism Hn?60@CnH60 (n = 70, 72, 74). The binding energies, C-H bond energies, and energy gaps explore that the ?in-out? isometric perhydrogenation of Cn (n = 70, 72, 74) can remarkably improve the stabilities. The static linear polarisabilies of Hn?60@CnH60 (n = 70, 72, 74) are indeed relative to their shapes, while they show almost nonaromatic character. This study can suggest that the ?in-out? isometric perhydrogenation of fullerenes could lead to the invention of entirely novel potential hydrogen storage nanomaterials." @default.
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- W2395127111 date "2010-11-01" @default.
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- W2395127111 title "The density functional study of the stabilities, bond characters, static linear polarisabilities, and aromaticities of the ‘in-out’ isomerism H<sub><i>n</i>−60</sub>@C<sub><i>n</i></sub>H<sub>60</sub>(<i>n</i>= 70, 72, 74)" @default.
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- W2395127111 doi "https://doi.org/10.1088/1674-1056/19/11/113603" @default.
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