Endo TS1 WB97XD/def2-QZVPP Model
DOI: 10.14469/hpc/13027 Metadata
Created: 2023-08-11 12:54
Last modified: 2023-08-25 14:51
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Portal project
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/13057 | Mechanism of the Swern oxidation: Transition state kinetic isotope effect calculations |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/13037 | Endo_TS1_G16_PCM_carbon_tetrachloride_WB97XD_def2qzvpp_v_01 |
| 10.14469/hpc/13036 | Endo_TS1_G16_PCM_carbon_tetrachloride_WB97XD_def2qzvpp_v_01_reactant |
| 10.14469/hpc/13035 | Endo_TS1_G16_PCM_chlorobenzene_WB97XD_def2qzvpp_v_01 |
| 10.14469/hpc/13034 | Endo_TS1_G16_PCM_chlorobenzene_WB97XD_def2qzvpp_v_01_reactant |
| 10.14469/hpc/13033 | Endo_TS1_G16_PCM_chloroform_WB97XD_def2qzvpp_v_01 |
| 10.14469/hpc/13032 | Endo_TS1_G16_PCM_chloroform_WB97XD_def2qzvpp_v_01_reactant |
| 10.14469/hpc/13031 | Endo_TS1_G16_PCM_DCM_WB97XD_def2qzvpp_v_01 |
| 10.14469/hpc/13030 | Endo_TS1_G16_PCM_DCM_WB97XD_def2qzvpp_v_01_reactant |
| 10.14469/hpc/13029 | Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2qzvpp_v_01 |
| 10.14469/hpc/13028 | Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2qzvpp_v_01_reactant |