Catalytic amidation : Two boron, one amine

DOI: 10.14469/hpc/14980 Metadata

Created: 2025-02-14 17:46

Last modified: 2025-04-10 14:59

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations

Member of collection / collaboration

DOIDescription
10.14469/hpc/11903 An exploration of the mechanism of the amidation reaction using ArB(OH)2 catalysts

Members

DOIDescription
10.14469/hpc/12031 TS, Two boron, one amine, TZVPP -2828.387051 (Reactants-2828.387051)) DG = 40.5
10.14469/hpc/15014 TS, Two boron, one amine, TZVPP -2828.387051 (Reactants -2828.387051) DG = 40.5 IRCForward + reverse

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