Atoms-In-Molecules’ Faces of Chemical Hardness by Conceptual Density Functional Theory

The chemical hardness concept and its realization within the conceptual density functional theory is approached with innovative perspectives, such as the electronegativity and hardness equalization of atoms in molecules connected with the softness kernel, in order to examine the structure–reactivity...

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Detalles Bibliográficos
Autores principales: Kaya, Savas, Putz, Mihai V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9782142/
https://www.ncbi.nlm.nih.gov/pubmed/36557957
http://dx.doi.org/10.3390/molecules27248825

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9782142/
https://www.ncbi.nlm.nih.gov/pubmed/36557957
http://dx.doi.org/10.3390/molecules27248825

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