Back to Search
Start Over
Finite temperature grand canonical ensemble study of the minimum electrophilicity principle.
- Source :
-
Journal of Chemical Physics . 2017, Vol. 147 Issue 12, p1-4. 4p. - Publication Year :
- 2017
-
Abstract
- We analyze the minimum electrophilicity principle of conceptual density functional theory using the framework of the finite temperature grand canonical ensemble. We provide support for this principle, both for the cases of systems evolving from a non-equilibrium to an equilibrium state and for the change from one equilibrium state to another. In doing so, we clearly delineate the cases where this principle can, or cannot, be used. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 147
- Issue :
- 12
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 125456317
- Full Text :
- https://doi.org/10.1063/1.4996443