Theoretical study of the reactivity of cesium with benzene and graphitic CxHy clusters

Journal of Chemical Physics

Volumn 123, Issue 7, 2005, Pages

  Martínez, José I ^a,b   López, María J ^a   Alonso, Julio A ^a,b  

^a UNIVERSITY OF VALLADOLID   (Spain)

^b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BENZENE; BINDING ENERGY; CHARGE TRANSFER; CHEMICAL BONDS; GRAPHITE; PROBABILITY DENSITY FUNCTION; SUBSTRATES;

ATOMIC PSEUDOPOTENTIALS; CARBON CLUSTERS; DENSITY-FUNCTIONAL THEORY; FUKUI FUNCTIONS; LOCAL-DENSITY APPROXIMATION; LOWEST UNOCCUPIED MOLECULAR ORBITAL;

CESIUM;

EID: 34547139228     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1999635     Document Type: Article

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