Atropisomerisation in methylene-methylene-polysiphenol
DOI: 10.14469/hpc/10761 Metadata
Created: 2022-07-31 09:20
Last modified: 2022-08-04 09:52
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3883 | Computational data for (±)-Polysiphenol and other Analogues via Symmetrical Intermolecular Dimerizations: a Synthetic, Spectroscopic, Structural and Computational Study |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/10762 | bis methylene atrop, saddle=2 OH, G = -918.563390 IRC |
| 10.14469/hpc/10759 | bis methylene atrop, saddle=2 OH, G = -918.563390 |
| 10.14469/hpc/10760 | bis methylene atrop, saddle=2 OH isomer, G = -918.560969 |
| 10.14469/hpc/10757 | bis methylene atrop, saddle=1, G = 918.566079 |
| 10.14469/hpc/10758 | bis methylene atrop, saddle=2 IRC, D2h symmetry |