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Relating atomic energy, radius and electronegativity through compression.
Rahm, Martin; Erhart, Paul; Cammi, Roberto.
Afiliación
  • Rahm M; Department of Chemistry and Chemical Engineering, Chalmers University of Technology SE-412 96 Gothenburg Sweden martin.rahm@chalmers.se.
  • Erhart P; Department of Physics, Chalmers University of Technology SE-412 96 Gothenburg Sweden.
  • Cammi R; Department of Chemical Science, Life Science and Environmental Sustainability, University of Parma Parma Italy.
Chem Sci ; 12(7): 2397-2403, 2021 Jan 28.
Article en En | MEDLINE | ID: mdl-34164004
ABSTRACT
Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts - van-der-Waals (vdW) radii and electronegativity - and how these relate to the driving forces behind chemical and physical transformations.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2021 Tipo del documento: Article

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2021 Tipo del documento: Article