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Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms

High pressure chemistry offers the chemical community a range of possibilities to control chemical reactivity, develop new materials and fine-tune chemical properties. Despite the large changes that extreme pressure brings to the table, the field has mainly been restricted to the effects of volume c...

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Detalles Bibliográficos
Autores principales:	Eeckhoudt, J., Bettens, T., Geerlings, P., Cammi, R., Chen, B., Alonso, M., De Proft, F.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9384819/ https://www.ncbi.nlm.nih.gov/pubmed/36093025 http://dx.doi.org/10.1039/d2sc00641c

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