B 80 and B 101-103 clusters: Remarkable stability of the core-shell structures established by validated density functionals

Journal of Chemical Physics

Volumn 136, Issue 7, 2012, Pages

  Li, Fengyu ^a,b   Jin, Peng ^c   Jiang, De En ^d   Wang, Lu ^b   Zhang, Shengbai B ^e   Zhao, Jijun ^b   Chen, Zhongfang ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c Wuhan National Laboratory for Optoelectronics   (China)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

^e Research Rensselaer Polytechnic Institute   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORON CLUSTERS; BUCKYBALL; CORE SHELL STRUCTURE; CORE-SHELL; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL METHODS; GLOBAL MINIMA; STRUCTURAL PATTERN;

BORON; FULLERENES; ISOMERS; SHELLS (STRUCTURES);

DENSITY FUNCTIONAL THEORY;

EID: 84861079949     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3682776     Document Type: Article

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