The density functional calculations on the structural stability, electronic properties, and static linear polarizability of the endohedral metallofullerene Ba@C74

Journal of Molecular Structure: THEOCHEM

Volumn 867, Issue 1-3, 2008, Pages 111-115

  Tang, Chunmei ^a   Fu, Shiyou ^b   Deng, Kaiming ^a   Yuan, Yongbo ^a   Tan, Weishi ^a   Huang, Decai ^a   Wang, Xin ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Endohedral fullerene Ba@C74; Static linear polarizability

Indexed keywords

EID: 52949129394     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.07.032     Document Type: Article

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