Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π Interactions

[Image: see text] The interaction energies of nine XH···π (X = C, N, and O) benzene-containing van der Waals complexes were analyzed, at the atomic and fragment levels, using QTAIM multipolar electrostatics and the energy partitioning method interacting quantum atoms/fragment (IQA/IQF). These descri...

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Detalles Bibliográficos
Autores principales: Triestram, Lena, Falcioni, Fabio, Popelier, Paul L. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10535255/
https://www.ncbi.nlm.nih.gov/pubmed/37779962
http://dx.doi.org/10.1021/acsomega.3c04149

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10535255/
https://www.ncbi.nlm.nih.gov/pubmed/37779962
http://dx.doi.org/10.1021/acsomega.3c04149

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