The <i>Cis</i>-Effect Explained Using Next-Generation QTAIM

The <i>Cis</i>-Effect Explained Using Next-Generation QTAIM

We used next-generation QTAIM (NG-QTAIM) to explain the <i>cis</i>-effect for two families of molecules: C<sub>2</sub>X<sub>2</sub> (X = H, F, Cl) and N<sub>2</sub>X<sub>2</sub> (X = H, F, Cl). We explained why the <i>cis</i>-ef...

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Bibliographic Details
Main Authors: Yuting Peng, Wenjing Yu, Xinxin Feng, Tianlv Xu, Herbert Früchtl, Tanja van Mourik, Steven R. Kirk, Samantha Jenkins
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Molecules
Subjects:
QTAIM
NG-QTAIM
cis-effect
dihaloethene
dihalodiazene
Online Access:https://www.mdpi.com/1420-3049/27/18/6099

Internet

https://www.mdpi.com/1420-3049/27/18/6099

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