A study of electronic and bonding properties of Sn doped Lin clusters and aluminum based binary clusters through electron localization function

Journal of Chemical Physics

Volumn 118, Issue 16, 2003, Pages 7288-7296

  Shetty, Sharan ^a   Pal, Sourav ^a   Kanhere, D G ^b  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b UNIVERSITY OF PUNE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; APPROXIMATION THEORY; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONS; GROUND STATE; LITHIUM COMPOUNDS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

ALUMINUM BASED BINARY CLUSTERS; CLUSTERS; DENSITY FUNCTIONAL THEORY; ELECTRON LOCALIZATION FUNCTION; FIRST PRINCIPLE BORN OPPENHEIMER MOLECULAR DYNAMICS; GENERALIZED GRADIENT APPROXIMATION; HETEROATOMIC CLUSTERS; IONIC BOND; VALENCE MOLECULAR ORBITAL PICTURES;

CHEMICAL BONDS;

EID: 0038399756     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1562944     Document Type: Article

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