Characterization of Chemical Reactions from the Profiles of Energy, Chemical Potential, and Hardness
Author:
Affiliation:
1. Departamento de Química Física, Facultad de Química, Pontificia, Universidad Católica de Chile, Casilla 306, Correo 22, Santiago, Chile
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp984187g
Reference36 articles.
1. Electronegativity: The density functional viewpoint
2. Absolute hardness: companion parameter to absolute electronegativity
3. Absolute electronegativity and absolute hardness of Lewis acids and bases
4. Recent advances in the concept of hard and soft acids and bases
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