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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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Bibliografski detalji
Izdano u:ChemistryOpen
Glavni autori: Symons, Benjamin C. B., Williamson, Dominic J., Brooks, Campbell M., Wilson, Alex L., Popelier, Paul L. A.
Format: Artigo
Jezik:Inglês
Izdano: John Wiley and Sons Inc. 2019
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6496634/
https://ncbi.nlm.nih.gov/pubmed/31065506
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800275
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