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Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis
In QTAIM dual-functional analysis, H(b)(r(c)) is plotted versus H(b)(r(c)) − V(b)(r(c))/2 for the interactions, where H(b)(r(c)) and V(b)(r(c)) are the total electron energy densities and potential energy densities, respectively, at the bond critical points (BCPs) on the interactions in question. Th...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9917772/ https://www.ncbi.nlm.nih.gov/pubmed/36769120 http://dx.doi.org/10.3390/ijms24032798 |