Theoretical XANES spectra for C_(76)isomers

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	Theoretical XANES spectra for C_(76)isomers
	Zhao T(赵挺); Gao B(高斌); Liu L(刘蕾); Ye Q(叶青); Chu WS(储旺盛); Wu ZY(吴自玉)
	2009
发表期刊	中国物理C
期号	11 页码:954-959
通讯作者	吴自玉
摘要	Two isolated pentagon rule satisfying isomers of C76 are optimized.And 1(D2) isomer is reconfirmed to be the relative more stable one.The X-ray absorption near-edge structure(XANES) spectra are theoretically characterized by the hybrid density functional theory(DFT) method in combination with the fu...
关键词	fullerene C76 isomer calculated XANES spectra local structure dependence
项目资助者	Supported by Knowledge Innovation Program of Chinese Academy of Sciences
文献类型	期刊论文
条目标识符	http://ir.ihep.ac.cn/handle/311005/222771
专题	多学科研究中心
推荐引用方式 GB/T 7714	Zhao T,Gao B,Liu L,et al. Theoretical XANES spectra for C_(76)isomers[J]. 中国物理C,2009(11):954-959.
APA	赵挺,高斌,刘蕾,叶青,储旺盛,&吴自玉.(2009).Theoretical XANES spectra for C_(76)isomers.中国物理C(11),954-959.
MLA	赵挺,et al."Theoretical XANES spectra for C_(76)isomers".中国物理C .11(2009):954-959.