The Willgerodt-Kindler Reaction: mechanistic reality check 3.
DOI: 10.14469/hpc/7356 Metadata
Created: 2020-08-27 07:53
Last modified: 2020-09-07 07:34
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7385 | The Willgerodt-Kindler reaction. Completing the Box set. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/7357 | Willgerodt-Kindler TS7 Full + NH3 G = -1338.173280 DG =16.6 IRC |
| 10.14469/hpc/7319 | Willgerodt-Kindler TS4 Full + NH3 G = -1338.138833 DG = 38.2 |
| 10.14469/hpc/7337 | Willgerodt-Kindler Int4 Full + NH3 G -1338.165713 |
| 10.14469/hpc/7321 | Willgerodt-Kindler Int6 Full + NH3 G = -1338.185776 DG = 8.8 |
| 10.14469/hpc/7355 | Willgerodt-Kindler TS5 G = -1338.104958 |
| 10.14469/hpc/7318 | Willgerodt-Kindler TS7 Full + NH3 G = -1338.173280 DG =16.6 |
| 10.14469/hpc/7364 | Willgerodt-Kindler TS6 E = -1338.45692241 |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/7294 | The Willgerodt-Kindler Reaction: mechanistic reality check 1. |
| References | 10.14469/hpc/7336 | The Willgerodt-Kindler Reaction: mechanistic reality check 2. |