Comparative DFT study of electronic structure and geometry of copper and silver clusters: Interaction with NO molecule

Computational Materials Science

Volumn 35, Issue 3, 2006, Pages 268-271

  Matulis, Vitaly E ^a   Ivaskevich, Oleg A ^a  

^a BELARUSIAN STATE UNIVERSITY   (Belarus)

Author keywords

Adsorption; Copper clusters; DFT theory; Electronic structure; Geometry; Silver clusters

Indexed keywords

ADSORPTION; BONDING; CATALYST ACTIVITY; ELECTRONIC STRUCTURE; GEOMETRY; IONIZATION; NITROGEN OXIDES; PROBABILITY DENSITY FUNCTION; SILVER;

COPPER CLUSTERS; DFT THEORY; MOLECULAR ORBITALS; SILVER CLUSTERS;

COPPER;

EID: 28444462086     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.08.011     Document Type: Conference Paper

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