Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg-H clusters

Journal of Alloys and Compounds

Volumn 480, Issue 1, 2009, Pages 114-116

  Siretskiy, M Yu ^a   Shelyapina, M G ^a   Fruchart, D ^b   Miraglia, S ^b   Skryabina, N E ^c  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b LABORATOIRE DE CRISTALLOGRAPHIE   (France)

^c PERM STATE UNIVERSITY   (Russian Federation)

Author keywords

Computer simulation; Hydrogen absorbing materials

Indexed keywords

CLUSTER DENSITIES; CLUSTER GEOMETRIES; H-CLUSTER; HYDROGEN ABSORBING MATERIALS; TRANSITION METAL ATOMS;

ATOMS; COMPUTER SIMULATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROGEN; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 67349190000     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2008.10.040     Document Type: Article

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