Electronic Resource
Springer
Theoretical chemistry accounts
59 (1981), S. 629-637
ISSN:
1432-2234
Keywords:
Electronegativity
;
Valence states
;
CNDO
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A generalization of the original method introduced by Hinze and Jaffé for calculating the orbital electronegativities is proposed. This generalization is based on a new energy partitioning scheme within the framework of CNDO approximation and permits the orbital electronegativities to be calculated for atoms in actual valence states in which they occur in real molecules.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00552856
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