Catalytic amidation: Two boron + two amine
DOI: 10.14469/hpc/14982 Metadata
Created: 2025-02-14 19:24
Last modified: 2025-04-08 07:18
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/15051 | TS C=O cleavage: two boron + two amine Def2-TZVPP G = -3155.356977 (Reactants -3,155.412971) DG = 35.1 IRC Forward + Reverse |
| 10.14469/hpc/12073 | TS C=O cleavage: two boron + two amine Def2-TZVPP G = -3155.356977 (Reactants -3,155.412971) DG = 35.1 |
| 10.14469/hpc/12300 | TS C=O cleavage: two boron + two amine Def2-TZVPP G = -3155.355513 (Reactants -3,231.883374) DG = 36.0 |