Peracetic acid epoxidation of aminoethene
DOI: 10.14469/hpc/4814 Metadata
Created: 2018-11-23 10:19
Last modified: 2018-11-25 07:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3603 | Epoxidation of alkenes by peracids: A refined view of textbook mechanisms based on a quantum mechanically derived curly-arrow depiction |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/4813 | peracid epoxidation of aminoethene, Reactant -438.079532 |
| 10.14469/hpc/4806 | peracid epoxidation of aminoethene, TS -438.044292 Activation free energy 22.1 kcal/mol |
| 10.14469/hpc/4815 | peracid epoxidation of aminoethene, IRC |