A photoelectron spectroscopy and density functional study of di-tantalum boride clusters: Ta2Bx- (x = 2-5)

Journal of Chemical Physics

Volumn 138, Issue 3, 2013, Pages

  Xie, Lu ^a   Li, Wei Li ^b   Romanescu, Constantin ^b   Huang, Xin ^a,c   Wang, Lai Sheng ^b  

^a FUZHOU UNIVERSITY   (China)

^b BROWN UNIVERSITY   (United States)

^c Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BORON ATOM; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL STUDY; EQUATORIAL BELTS; GLOBAL MINIMA; LOWEST ENERGY STRUCTURE; NEUTRAL CLUSTERS; PHOTOELECTRON SPECTRUM; PHOTON ENERGY; SPECTRAL FEATURE; VERTICAL ELECTRON DETACHMENT ENERGIES;

BORIDES; BORON; CHEMICAL BONDS; ELECTRONIC PROPERTIES; NEGATIVE IONS; PHOTOELECTRON SPECTROSCOPY; TANTALUM;

DENSITY FUNCTIONAL THEORY;

BORON; TANTALUM;

ARTICLE; CHEMISTRY; QUANTUM THEORY; X RAY PHOTOELECTRON SPECTROSCOPY;

BORON; PHOTOELECTRON SPECTROSCOPY; QUANTUM THEORY; TANTALUM;

MLCS; MLOWN;

EID: 84872820667     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4776769     Document Type: Article

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