Cyclopentene synthesis by dimerisation of methylene cyclopropanes: Computational data. Miscellaneous
DOI: 10.14469/hpc/14362 Metadata
Created: 2024-06-23 08:43
Last modified: 2024-07-17 10:12
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7893 | Cyclopentene synthesis by dimerisation of methylene cyclopropanes: Computational data |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/13064 | 14, wB97XD/aug-cc-pvdz NMR |
| 10.14469/hpc/13063 | 2: wB97XD/aug-cc-pvdz NMR |
| 10.14469/hpc/13067 | 14, , =>Cp rotamer, G = -774.221789 NMR |
| 10.14469/hpc/13301 | TS 9-12, cp rotamer ==> G= -773.744633 ==> rotamer2 G = -773.748375, π-complex RP to 9, no TS! |