Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory

International Journal of Quantum Chemistry

Volumn 106, Issue 2, 2006, Pages 361-389

  Putz, Mihai V ^a,b,c  

^a WEST UNIVERSITY OF TIMISOARA   (Romania)

^b UNIVERSITY OF CALABRIA   (Italy)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Density functional softness theory; Electronegativity; Electronic affinity; Hardness; Ionization potential

Indexed keywords

CHEMICAL REACTIONS; FINITE DIFFERENCE METHOD; HARDNESS; IONIZATION; MATHEMATICAL TECHNIQUES; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL SOFTNESS THEORY; ELECTRON AFFINITY; ELECTRONEGATIVITY; MULLIKEN VALENCE;

ELECTRIC PROPERTIES;

EID: 33645309099     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20787     Document Type: Article

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