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Evaluation of Electron Density Shifts in Noncovalent Interactions

[Image: see text] In the present paper, we report the quantitative evaluation of the electron density shift (EDS) maps within different complexes. Values associated with the total EDS maps exhibited good correlation with different quantities such as interaction energies, E(int), intermolecular dista...

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Detalles Bibliográficos
Autores principales:	Iribarren, Iñigo, Sánchez-Sanz, Goar, Alkorta, Ibon, Elguero, José, Trujillo, Cristina
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279648/ https://www.ncbi.nlm.nih.gov/pubmed/34061527 http://dx.doi.org/10.1021/acs.jpca.1c00830

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