DFT-based chemical reactivity indices in the Hartree-Fock method. II. Fukui function, chemical potential, and hardness

Journal of Chemical Physics

Volumn 123, Issue 12, 2005, Pages

  Balawender, Robert ^a   Geerlings, Paul ^b  

^a INSTITUTE OF PHYSICAL CHEMISTRY   (Poland)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL POTENTIAL; REACTIVITY INDICES; SPIN-ORBITALS;

CHEMICAL REACTIONS; ELECTRONS; HARDNESS; HYDROGEN INORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; WATER;

PHYSICAL CHEMISTRY;

EID: 26044441312     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2012330     Document Type: Article

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