Endo TS1 B3LYP/6-31+G(d,p) Model
DOI: 10.14469/hpc/12964 Metadata
Created: 2023-08-11 02:33
Last modified: 2023-08-25 14:36
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/12969 | Endo_TS1_G16_PCM_dichloroethane_v_01 |
| 10.14469/hpc/12974 | Endo_TS1_G16_PCM_dichloroethane_v_01_reactant |
| 10.14469/hpc/12968 | Endo_TS1_G16_PCM_DCM_v_01 |
| 10.14469/hpc/12973 | Endo_TS1_G16_PCM_DCM_v_01_reactant |
| 10.14469/hpc/12967 | Endo_TS1_G16_PCM_chloroform_v_01 |
| 10.14469/hpc/12972 | Endo_TS1_G16_PCM_chloroform_v_01_reactant |
| 10.14469/hpc/12966 | Endo_TS1_G16_PCM_chlorobenzene_v_01 |
| 10.14469/hpc/12971 | Endo_TS1_G16_PCM_chlorobenzene_v_01_reactant |
| 10.14469/hpc/12965 | Endo_TS1_G16_PCM_carbon_tetrachloride_v_01 |
| 10.14469/hpc/12970 | Endo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant |