Energy decomposition analysis of hindered alkenes: Tetra t-butylethene and others.
Year: 2025
Type: other
Abstract: In the previous post,[1] I introduced the N=N double bond in nitrosobenzene dimer, arguing that even though it was a formal double bond, its bond dissociation energy made it nonetheless a very weak double bond! This was backed up by a technique known as energy decomposition analysis or EDA.
DOI: 10.59350/hd7xf-e0a23
Author: Henry Rzepa
Institution: Imperial College London
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: gold
OpenAlex ID: W4414836444