Catalytic Mitsunobo
DOI: 10.14469/hpc/6186 Metadata
Created: 2019-09-30 07:29
Last modified: 2019-10-26 08:49
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/6156 | Catalytic Mitsunobo, 2 alt 2 ΔG = -2250.792908, ΔΔG = 25.4 |
| 10.14469/hpc/6190 | Catalytic Mitsunobo, 1, ΔG=-2250.833359 ΔΔG = 0.0 |
| 10.14469/hpc/6187 | Catalytic Mitsunobo, 3 => 4 TS , ΔG = -2250.774720 ΔΔG = 36.8 |
| 10.14469/hpc/6188 | Catalytic Mitsunobo, 2 ΔG=-2250.790025, ΔΔG = 27.2 |
| 10.14469/hpc/6191 | Catalytic Mitsunobo, 4, ΔG=-2250.826153 ΔΔG= +4.5 |
| 10.14469/hpc/6189 | Catalytic Mitsunobo, 3 ΔG=-2250.809403 ΔΔG = =15.0 |