Geometric and electronic properties of endohedral Si @ C74

Journal of Chemical Physics

Volumn 125, Issue 10, 2006, Pages

  Tang, Chunmei ^a,b   Yuan, Yongbo ^a,b   Deng, Kaiming ^a,b   Liu, Yuzhen ^a,b   Li, Xianqyin ^a,b   Yang, Jinlong ^b   Wang, Xin ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DEFORMATION; ELECTRONIC PROPERTIES; MOLECULAR PHYSICS; PROBABILITY DENSITY FUNCTION; SILICON;

MOLECULAR ORBITAL CALCULATIONS; MULLIKEN CHARGE ANALYSIS; PENTAGON RING; THE GENERALIZED GRADIENT APPROXIMATION;

ATOMIC PHYSICS;

EID: 33748709482     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2339022     Document Type: Article

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