Probing the smallest molecular model of MoS2 catalyst: S 2 units in the MoSn-/0 (n = 1-5) clusters

Journal of Physical Chemistry A

Volumn 117, Issue 27, 2013, Pages 5632-5641

  Wang, Bin ^a,b   Wu, Ni ^a   Zhang, Xiao Bin ^a   Huang, Xin ^a,b   Zhang, Yong Fan ^a,b   Chen, Wen Kai ^a   Ding, Kai Ning ^a  

^a FUZHOU UNIVERSITY   (China)

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

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDINGS; COUPLED-CLUSTER THEORY; ELECTRONIC AND STRUCTURAL PROPERTIES; PHOTOELECTRON SPECTRUM; STRUCTURAL EVOLUTION; SULFIDE CLUSTERS; TERMINAL SITE; VERTICAL DETACHMENT ENERGIES;

CATALYSTS; MOLECULAR ORBITALS; SULFUR;

MOLYBDENUM COMPOUNDS;

EID: 84880146391     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp309163c     Document Type: Article

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