Condensation of the highest occupied molecular orbital within the electron localization function domains

Journal of Chemical Sciences

Volumn 117, Issue 5, 2005, Pages 419-424

  Chamorro, E ^a   Duque, M ^a   Cardenas C ^a   Santos, J ^b,c   Tiznado, W ^b   Fuentealba, P ^b  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

^b UNIVERSITY OF CHILE   (Chile)

^c DEPARTAMENTO DE FÍSICA   (Chile)

Author keywords

Electron localisation functions (ELF); Fukui function; Highest occupied molecular orbital

Indexed keywords

COMPUTATION THEORY; CONDENSATION; ELECTRONS; TOPOLOGY;

ELECTRON LOCALIZATION FUNCTIONS (ELF); FUKUI FUNCTIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL;

MOLECULAR DYNAMICS;

EID: 27844531583     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708345     Document Type: Article

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