On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids

[Image: see text] Using perturbation theory within the framework of conceptual density functional theory, we derive a lower bound for the lattice energy of the ionic solids. The main element of the lower bound is the Fukui potential in the nuclei of the molecule corresponding to the unit formula of...

Descripción completa

Detalles Bibliográficos
Autores principales: Kaya, Savaş, Robles-Navarro, Andrés, Mejía, Erica, Gómez, Tatiana, Cardenas, Carlos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289887/
https://www.ncbi.nlm.nih.gov/pubmed/35766899
http://dx.doi.org/10.1021/acs.jpca.1c09898

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289887/
https://www.ncbi.nlm.nih.gov/pubmed/35766899
http://dx.doi.org/10.1021/acs.jpca.1c09898

Ejemplares similares