A computational investigation of the Ni-doped Sin(n=1-8) clusters by a density functional method

Journal of Molecular Structure: THEOCHEM

Volumn 718, Issue 1-3, 2005, Pages 165-173

  Ren, Zhao Yu ^a   Li, Feng ^a,b   Guo, Ping ^a   Han, Ju Guang ^a,c  

^a NORTHWEST UNIVERSITY   (China)

^b Shang Luo Teachers' College   (China)

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

Author keywords

Charge transfer; Density functional method calculation; Geometry and stability; NiSin clusters

Indexed keywords

NICKEL;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR STABILITY; STRUCTURE ANALYSIS;

EID: 15044361865     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.01.005     Document Type: Article

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