Endo TS1 WB97XD/def2-TZVPP Model
DOI: 10.14469/hpc/13014 Metadata
Created: 2023-08-11 12:46
Last modified: 2023-08-25 14:48
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/13026 | Endo_TS1_G16_PCM_carbon_tetrachloride_WB97XD_def2tzvpp_v_01 |
| 10.14469/hpc/13025 | Endo_TS1_G16_PCM_carbon_tetrachloride_WB97XD_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13022 | Endo_TS1_G16_PCM_chloroform_WB97XD_def2tzvpp_v_01 |
| 10.14469/hpc/13021 | Endo_TS1_G16_PCM_chloroform_WB97XD_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13020 | Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01 |
| 10.14469/hpc/13019 | Endo_TS1_G16_PCM_DCM_WB97XD_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13018 | Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01 |
| 10.14469/hpc/13017 | Endo_TS1_G16_PCM_dichloroethane_WB97XD_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13016 | Endo_T1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01 |
| 10.14469/hpc/13015 | Endo_TS1_G16_PCM_chlorobenzene_WB97XD_def2tzvpp_v_01_reactant |