Article ID Journal Published Year Pages File Type
5395088 Computational and Theoretical Chemistry 2011 5 Pages PDF
Abstract
► A detailed theoretical study on the structural, electronic properties of ten C60(OH)24 isomers. ► The key factor contributing to the structural stability is the addition positions of the OH groups. ► The lowest-energy isomer is obtained when the 24 OH groups are located on the equator of the C60 surface. ► The intra-H-bonds are found in fullerenols.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The structural stability of polyhydroxylated C60(OH)24: Density functional theory characterizations
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