Mechanism of the Swern oxidation: replicating the original G03 calculations
DOI: 10.14469/hpc/13108 Metadata
Created: 2023-08-22 09:55
Last modified: 2023-09-11 11:33
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations set to replicate the earlier Gaussian 03 program
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/13058 | Modelling kinetic isotope effects for SWERN Oxidation. DFT-based transition structure Theory is OK. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/13221 | Mechanism of the Swern oxidation: replicating the original G03 calculations, endo-isomer |
| 10.14469/hpc/13222 | Mechanism of the Swern oxidation: replicating the original G03 calculations, exo-isomer |
| 10.14469/hpc/13256 | Mechanism of the Swern oxidation: replicating the original gas phase G03 calculations of Kinetic isotope effects. |