Catalytic amidation: three boron + two amine
DOI: 10.14469/hpc/14986 Metadata
Created: 2025-02-14 20:19
Last modified: 2025-04-15 12:53
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/15053 | TS7: o-Cl-Ph-B three boron + two amine, one water, Def2-TZVPP G = -3946.920351 (Reactants -3,946.971917) DG = 32.3 IRC forward and Reverse |
| 10.14469/hpc/12187 | TS7: o-Cl-Ph-B three boron + two amine, one water, Def2-TZVPP G = -3946.920351 (Reactants -3,946.971917) DG = 32.3 |