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...

Descripción completa

Detalles Bibliográficos
Autores principales: Nakanishi, Waro, Hayashi, Satoko, Imanaka, Ryosuke, Nishide, Taro, Tanaka, Eiichiro, Matsuoka, Hikaru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9917772/
https://www.ncbi.nlm.nih.gov/pubmed/36769120
http://dx.doi.org/10.3390/ijms24032798

Ejemplares similares