Catalytic amidation : One boron, two amine
DOI: 10.14469/hpc/14981 Metadata
Created: 2025-02-14 19:14
Last modified: 2025-03-03 05:20
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11903 | An exploration of the mechanism of the amidation reaction using ArB(OH)2 catalysts |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/15013 | TS C-O cleavage, one boron, two amine, G = -2363.793639 (Reactants -2,363.854025) DG = 37.9 IRC forward |
| 10.14469/hpc/12251 | TS C-O cleavage, one boron, two amine, G = -2363.793639 (Reactants -2,363.854025) DG = 37.9 |
| 10.14469/hpc/15020 | TS C-O cleavage, one boron, two amine, G = -2363.793639 (Reactants -2,363.854025) DG = 37.9 IRC reverse |