Ethanimidoperoxoic acid epoxidation of propene
DOI: 10.14469/hpc/4786 Metadata
Created: 2018-11-10 13:08
Last modified: 2018-12-23 19:56
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/4909 | Epoxidation of ethene: a new substituent twist. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/4779 | ethanimidoperoxoic acid expoxidation of propene, Def2-TZVPPD/DCM/M062X, TS via neutral starting point -402.057148 |
| 10.14469/hpc/4780 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS via zwitterionic starting point -402.063811 |
| 10.14469/hpc/4787 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X Product -402.213627 |
| 10.14469/hpc/4788 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X Reactant, non-ionic -402.108012 |
| 10.14469/hpc/4782 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS via zwitterionic starting point -402.063811 IRC |
| 10.14469/hpc/4781 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS via neutral starting point -402.057148 IRC |
| 10.14469/hpc/4789 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X Reactant, ionic -402.096645 |
| 10.14469/hpc/4797 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X PT -402.094727 IRC |
| 10.14469/hpc/4790 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS for tautomeric proton transfer -402.094727 |
| 10.14469/hpc/4793 | ethanimidoperoxoic acid epoxidation of propene, Def2-TZVPPD/DCM/M062X -402.094727 tautomeric proton transfer IRC |