Three and four bond rotations
DOI: 10.14469/hpc/12434 Metadata
Created: 2023-04-01 08:04
Last modified: 2023-04-05 08:14
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/12360 | 4-bond-rotation-PTPT, rotation, G = -843.828679 reactant |
| 10.14469/hpc/12351 | di-N-tBu,N-Me-urea, Reactant, G = -617.395230 |
| 10.14469/hpc/12361 | di-N-tBu,N-Me-urea, TS, G = -617.384254 DG = 6.9 |