Effect of discontinuities in Kohn-Sham-based chemical reactivity theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3694103
Reference41 articles.
1. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons
2. Role of Frontier Orbitals in Chemical Reactions
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4. Variational method for determining the Fukui function and chemical hardness of an electronic system
5. Chemical Potential Equalization Principle: Direct Approach from Density Functional Theory
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