Quantum chemical study of the interaction of elemental Hg with small neutral, anionic and cationic Aun (n = 1-6) clusters

Materials Research Bulletin

Volumn 48, Issue 3, 2013, Pages 995-1002

  Siddiqui, Shamoon Ahmad ^a   Bouarissa, Nadir ^a   Rasheed, Tabish ^b   Al Assiri, M S ^a  

^a NAJRAN UNIVERSITY   (Saudi Arabia)

^b SHARDA UNIVERSITY   (India)

Author keywords

A. Nanostructures; D. Electronic structure; D. Surface properties

Indexed keywords

ANIONIC CLUSTERS; ANIONIC GOLD CLUSTERS; CHARGED CLUSTERS; DENSITY FUNCTIONAL THEORIES (DFT); ELEMENTAL MERCURY; FRONTIER MOLECULAR ORBITALS; NATURAL BOND ORBITAL ANALYSIS; NBO ANALYSIS; ORBITALS; QUANTUM CHEMICAL STUDIES;

ADSORPTION; BINDING ENERGY; CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GOLD COMPOUNDS; MOLECULAR ORBITALS; SURFACE PROPERTIES;

MERCURY (METAL);

EID: 84872835539     PISSN: 00255408     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.materresbull.2012.11.091     Document Type: Article

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