Journal article
The local response of global descriptors
Abstract
We consider the problem of defining an appropriate local descriptor corresponding to an arbitrary global descriptor. Although it does not seem easy to rigorously and uniquely define local analogues of derived global descriptors (e.g., the electrophilicity) or the fundamental global descriptors associated with the canonical ensemble (e.g., the hardness), the local response of these global descriptors can be defined unambiguously. We look at the …
Authors
Heidar-Zadeh F; Fias S; Vöhringer-Martinez E; Verstraelen T; Ayers PW
Journal
Theoretical Chemistry Accounts, Vol. 136, No. 1,
Publisher
Springer Nature
Publication Date
1 2017
DOI
10.1007/s00214-016-2036-0
ISSN
1432-881X