Exo TS1 B3LYP/6-31+G(d,p) Model
DOI: 10.14469/hpc/13136 Metadata
Created: 2023-08-24 18:56
Last modified: 2023-08-25 15:45
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/13137 | Exo_TS1_G16_PCM_carbon_tetrachloride_v_01 |
| 10.14469/hpc/13142 | Exo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant |
| 10.14469/hpc/13138 | Exo_TS1_G16_PCM_chlorobenzene_v_01 |
| 10.14469/hpc/13143 | Exo_TS1_G16_PCM_chlorobenzene_v_01_reactant |
| 10.14469/hpc/13139 | Exo_TS1_G16_PCM_chloroform_v_01 |
| 10.14469/hpc/13144 | Exo_TS1_G16_PCM_chloroform_v_01_reactant |
| 10.14469/hpc/13140 | Exo_TS1_G16_PCM_DCM_v_01 |
| 10.14469/hpc/13145 | Exo_TS1_G16_PCM_DCM_v_01_reactant |
| 10.14469/hpc/13141 | Exo_TS1_G16_PCM_dichloroethane_v_01 |
| 10.14469/hpc/13146 | Exo_TS1_G16_PCM_dichloroethane_v_01_reactant |