Functional Screening
DOI: 10.14469/hpc/12164 Metadata
Created: 2022-12-23 14:56
Last modified: 2022-12-23 16:01
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Functional Screening
Embargo
Access code: er4u-4dqc
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/12036 | DFT computational data |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/12166 | Functional screen - 4-coordinate CH activation - M06L |
| 10.14469/hpc/12171 | Functional screen - 5-coordinate CH activation - B3LYP |
| 10.14469/hpc/12176 | Reductive elimination - M06-L |
| 10.14469/hpc/12167 | Functional screen - 4-coordinate CH activation - MN15 |
| 10.14469/hpc/12172 | Functional screen - 5-coordinate CH activation - M06-L |
| 10.14469/hpc/12168 | Functional screen - 4-coordinate CH activation - PEB0 |
| 10.14469/hpc/12173 | Reductive elimination - B3LYP |
| 10.14469/hpc/12169 | Functional screen - 5-coordinate CH activation - PEB0 |
| 10.14469/hpc/12174 | Reductive elimination - PEB0 |
| 10.14469/hpc/12165 | Functional screen - 4-coordinate CH activation - B3LYP |
| 10.14469/hpc/12170 | Functional screen - 5-coordinate CH activation - MN15 |
| 10.14469/hpc/12175 | Reductive elimination - MN15 |