Density functional energetics and frontier orbitals analysis for the derivatives of the nonclassical triplet-pentagon-fusion fullerene C64X (X=Si and Ge)

Journal of Molecular Structure: THEOCHEM

Volumn 950, Issue 1-3, 2010, Pages 36-40

  Tang, Chunmei ^a   Zhu, Weihua ^a   Deng, Kaiming ^b  

^a HOHAI UNIVERSITY   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

C64; C64Ge; C64Si; Density functional theory; Nonclassical fullerene

Indexed keywords

EID: 77954954422     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.03.019     Document Type: Article

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