Chemisorptions effect of oxygen on the geometries, electronic and magnetic properties of small size Ni n (n = 1-6) clusters

Journal of Molecular Modeling

Volumn 18, Issue 2, 2012, Pages 737-749

  Bandyopadhyay, Debashis ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

30.180; 40.080; Chemical properties; Classification codes:20.040; Clusters; Density functional theory; Nanomaterials

Indexed keywords

MAGNETIC NANOPARTICLE; NICKEL; OXYGEN;

ABSORPTION; ARTICLE; CHEMICAL COMPOSITION; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; GEOMETRY; MAGNETIC FIELD; MOLECULAR DYNAMICS; MOLECULAR ELECTRONICS; PRIORITY JOURNAL;

ELECTRONS; MAGNETS; MODELS, CHEMICAL; NICKEL; OXYGEN;

EID: 84861229410     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1090-8     Document Type: Article

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