Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?

We show that the mutual, through‐space compression of atomic volume experienced by approaching topological atoms causes an exponential increase in the intra‐atomic energy of those atoms, regardless of approach orientation. This insight was obtained using the modern energy partitioning method called...

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Detalles Bibliográficos
Autores principales: Symons, Benjamin C. B., Williamson, Dominic J., Brooks, Campbell M., Wilson, Alex L., Popelier, Paul L. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6496634/
https://www.ncbi.nlm.nih.gov/pubmed/31065506
http://dx.doi.org/10.1002/open.201800275

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6496634/
https://www.ncbi.nlm.nih.gov/pubmed/31065506
http://dx.doi.org/10.1002/open.201800275

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