Condensation of Frontier Molecular Orbital Fukui Functions

Journal of Physical Chemistry A

Volumn 108, Issue 2, 2004, Pages 342-349

  Bulat, Felipe A ^a   Chamorro, Eduardo ^b   Fuentealba, Patricio ^c   Toro Labbé, Alejandro ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b UNIVERSIDAD ANDRÉS BELLO   (Chile)

^c UNIVERSITY OF CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; CONDENSATION; DERIVATIVES; DIFFUSION; FINITE DIFFERENCE METHOD; HYDROGEN; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ELECTROPHILIC REACTIONS; FRONTIER MOLECULAR ORBITALS (FMO);

MOLECULAR DYNAMICS;

EID: 1642567271     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036416r     Document Type: Article

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34. AIMPAC suite, developed by R. F. W. Bader and co-workers, available from the author.