Molecules of the Year - 2024. A crystal structure perspective on anti-Bredt olefins.
DOI: 10.14469/hpc/14898 Metadata
Created: 2025-01-05 13:38
Last modified: 2025-01-08 16:52
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/14902 | anti-Bredt 1 NMR |
| 10.14469/hpc/14901 | anti-Bredt 2 NMR |
| 10.14469/hpc/14896 | anti-Bredt 4 distance 0.357, mu 1694 |
| 10.14469/hpc/14900 | anti-Bredt 3 NMR |
| 10.14469/hpc/14897 | anti-Bredt 3 CC 1.336 centroid distance 0.341, nu 1684 |
| 10.14469/hpc/14899 | nti-Bredt 4 NMR |
| 10.14469/hpc/14895 | anti-Bredt 2, centrodi distance 0.505 |
| 10.14469/hpc/14894 | anti-Bredt 1, Centroid distance 0.51 |