A DFT study of the interaction of elemental mercury with small neutral and charged silver clusters

Chemical Physics Letters

Volumn 517, Issue 4-6, 2011, Pages 227-233

  Sun, Lushi ^a   Zhang, Anchao ^b   Su, Sheng ^a   Wang, Hua ^b   Liu, Junli ^b   Xiang, Jun ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HENAN POLYTECHNIC UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC CLUSTERS; ANIONIC COMPLEX; CHARGED COMPLEXES; CHARGED SILVER CLUSTERS; DFT METHOD; DFT STUDY; ELECTRON FLOW; ELECTRON TRANSFER; ELEMENTAL MERCURY; FRONTIER MOLECULAR ORBITALS; MERCURY ADSORPTION; NBO ANALYSIS;

ADSORPTION; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; MERCURY (METAL); MOLECULAR ORBITALS;

MERCURY COMPOUNDS;

EID: 82455199180     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.10.033     Document Type: Article

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