Density functional study of physical and chemical properties of nano size boron clusters: Bn (n13-20)

Chinese Journal of Chemical Physics

Volumn 22, Issue 4, 2009, Pages 380-388

  Atiş, Murat ^a   Zdoan, Cem ^b   Güvenç, Ziya B ^b  

^a Nevehir University   (Turkey)

^b Ç Ankaya University   (Turkey)

Author keywords

Boron; Cluster; Density functional theory

Indexed keywords

ATOMS; BINDING ENERGY; BORON; CHARGE DISTRIBUTION; CHEMICAL PROPERTIES; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; NANOSTRUCTURES;

BONDING CHARACTERISTICS; CLUSTER; DENSITY-FUNCTIONAL STUDY; ELECTRONIC AND GEOMETRIC STRUCTURES; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; PHYSICAL AND CHEMICAL PROPERTIES; STRUCTURAL TRANSITIONS;

CHEMICAL BONDS;

EID: 70350520058     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/22/04/380-388     Document Type: Article

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