Nuclear Fukui functions from nonintegral electron number calculations

International Journal of Quantum Chemistry

Volumn 107, Issue 4, 2007, Pages 807-815

  Cár Denas, Carlos ^a   Chamorro, Eduardo ^a   Galván, Marcelo ^b   Fuentealba, Patricio ^c  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

^c UNIVERSITY OF CHILE   (Chile)

Author keywords

Chemical reactivity; DFT; Diatomic molecules; Janak DFT; Noninteger electrons

Indexed keywords

ERROR ANALYSIS; FINITE ELEMENT METHOD; PARAMETER ESTIMATION;

CHEMICAL REACTIVITY; DIATOMIC MOLECULES; JANAK DFT; NONINTEGER ELECTRONS;

FUNCTIONS;

EID: 33846557590     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21202     Document Type: Article

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