Charge-Flow Profiles along Curvilinear Paths: A Flexible Scheme for the Analysis of Charge Displacement upon Intermolecular Interactions

The Charge-Displacement (CD) analysis has proven to be a powerful tool for a quantitative characterization of the electron-density flow occurring upon chemical bonding along a suitably chosen interaction axis. In several classes of interesting intermolecular interactions, however, an interaction axi...

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Detalles Bibliográficos
Autores principales: Sagresti, Luca, Rampino, Sergio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8586930/
https://www.ncbi.nlm.nih.gov/pubmed/34770822
http://dx.doi.org/10.3390/molecules26216409

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8586930/
https://www.ncbi.nlm.nih.gov/pubmed/34770822
http://dx.doi.org/10.3390/molecules26216409

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