Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
94 (1991), S. 6055-6056
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
By generalization of a method due to Politzer et al. [J. Chem. Phys. 79, 3859 (1983)], it is demonstrated how the absolute hardness of an electronic system can be determined from the electrostatic potential, as a function of position of the system and its positive and negative ions. It is shown that to good accuracy the hardness is one-half the electrostatic potential at the covalent radius due to the Fukui function.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.460443
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