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Your search keyword '"Ji-Kang Feng"' showing total 3 results
Start Over Author "Ji-Kang Feng" Journal journal of physical chemistry b
3 results on '"Ji-Kang Feng"'

1. Search for more stable [C.sub.58][X.sub.18] isomers: Stabilities and electronic properties of seven-membered ring [Csub.58][X.sub.18] fullerene derivatives (X = H, F, and Cl)

Author

De-Li Chen, Wei Quan Tian, Ji-Kang Feng, and Chia-Chung Sun

Subjects
Chlorine compounds -- Chemical properties, Chlorine compounds -- Structure, Density functionals -- Usage, Fluorine compounds -- Chemical properties, Fluorine compounds -- Structure, Chemicals, plastics and rubber industries
Abstract

A systematic density functional theory (DFT) calculations is performed on the stabilities and electronic properties of two different structures [Csub.58][X.sub.18] and [C.sub.58][X.sub.1], where X = H, F, and Cl. It is seen that the large energy gaps between the highest occupied molecular orbitals and the lowest unoccupied molecular orbital and the aromatic character possess high stabilities.

Published
2007

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