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Cover Feature: The Coulomb Hole of the Ne Atom (ChemistryOpen 4/2019)

The Cover Feature displays the profile of the Coulomb hole of Ne surrounded by a cloud of neon atoms. Our quantum chemical calculations show that correlation of the core electrons manifests itself as a shoulder in the profile of the Coulomb hole at short interelectronic distances. This feature is ve...

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Detalles Bibliográficos
Autores principales: Rodríguez‐Mayorga, Mauricio, Ramos‐Cordoba, Eloy, Lopez, Xabier, Solà, Miquel, Ugalde, Jesus M., Matito, Eduard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6442686/
http://dx.doi.org/10.1002/open.201900072