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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| 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 |