The present study of the cyclooctatetraene potential energy surface shows the presence of a bifurcation (valley ridge inflection point) in the intrinsic reaction coordinate path between the two transition states of D(8h) and D(4h) symmetries. This result is of capital importance for the correct understanding of the bond shifting and ring inversion processes in this compound.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/jcc.10013 | DOI Listing |
Publication Analysis
Top Keywords
bond shifting
8
role bifurcation
4
bifurcation bond
4
shifting cyclooctatetraene
4
cyclooctatetraene study
4
study cyclooctatetraene
4
cyclooctatetraene potential
4
potential energy
4
energy surface
4
surface presence
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!