Xingfa Gao's profile
I'm male
What I do
With the aid of computation, I am engaged in:
♠ The chemistry and chemical modifications of carbon nanomaterials;
♠ Reaction mechanisms and potential energy surfaces of small reactions.
Affiliations
Current affiliations
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- Position
- Post-doctoral fellow
- Company
- Institute for Molecular Science, Japan
- Further information
Location
- City:
- None chosen
- Hub:
- None chosen
Interests
Simply speaking, I am interested in theoretical findings that are potentially interesting to you.
Projects
♠ Chemistry and functionalization of graphitic carbon nanomaterials;
♠ Pericyclic reaction chemistry of molecules containing strained/weak double bonds.
Publications
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Nakahodo T, Okada M, Morita H, Yoshimura T, Ishitsuka M, Tsuchiya T, Maeda Y, Fujihara H, Akasaka T, Gao X, Nagase S. [2+1] Cycloaddition of Nitrene onto C60 Revisited: Interconversion between an Aziridinofullerene and an Azafulleroid Angew. Chem. Int. Ed. (7) , 1298 - 1300 (2008) doi: 10.1002/anie.200704410
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Gao X, Zhao Y. The way of stabilizing non-IPR fullerenes and structural elucidation of C54Cl8 J. Comput. Chem. (4) , 795 - 801 (2007) doi: 10.1002/jcc.20602
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GAO X, ZHAO Y, YUAN H, CHEN Z, CHAI Z. Theoretical study of a hybrid type dumbbell-like fullerene dimer C60CC70 Chemical Physics Letters (1-3) , 24 - 29 (2006) doi: 10.1016/j.cplett.2005.10.092
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Tang J, Xing G, Zhao Y, Jing L, Gao X, Cheng Y, Yuan H, Zhao F, Chen Z, Meng H, Zhang H, Qian H, Su R, Ibrahim K. Periodical Variation of Electronic Properties in Polyhydroxylated Metallofullerene Materials Adv. Mater. (11) , 1458 - 1462 (2006) doi: 10.1002/adma.200600049
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Gao X, Yuan H, Chen Z, Zhao Y. Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C141 J. Comput. Chem. (16) , 2023 - 2030 (2004) (Epub 13 Oct 2004) doi: 10.1002/jcc.20128
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