The Cis-Effect Explained Using Next-Generation QTAIM

We used next-generation QTAIM (NG-QTAIM) to explain the cis-effect for two families of molecules: C(2)X(2) (X = H, F, Cl) and N(2)X(2) (X = H, F, Cl). We explained why the cis-effect is the exception rather than the rule. This was undertaken by tracking the motion of the bond critical point (BCP) of...

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Detalles Bibliográficos
Autores principales: Peng, Yuting, Yu, Wenjing, Feng, Xinxin, Xu, Tianlv, Früchtl, Herbert, van Mourik, Tanja, Kirk, Steven R., Jenkins, Samantha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9506152/
https://www.ncbi.nlm.nih.gov/pubmed/36144830
http://dx.doi.org/10.3390/molecules27186099

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9506152/
https://www.ncbi.nlm.nih.gov/pubmed/36144830
http://dx.doi.org/10.3390/molecules27186099

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