Endo TS1 B3LYP/def2-TZVPP Model
DOI: 10.14469/hpc/12990 Metadata
Created: 2023-08-11 12:08
Last modified: 2023-08-25 16:09
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/12997 | Endo_TS1_G16_PCM_chlorobenzene_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13002 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01 |
| 10.14469/hpc/13001 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13000 | Endo_TS1_G16_PCM_carbon_tetrachloride_def2tzvpp_v_01 |
| 10.14469/hpc/12999 | Endo_TS1_G16_PCM_carbon_tetrachloride_def2tzvpp_v_01_reactant |
| 10.14469/hpc/12996 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01 |
| 10.14469/hpc/12995 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01_reactant |
| 10.14469/hpc/12994 | Endo_TS1_G16_PCM_dichloroethane_def2tzvpp_v_01 |
| 10.14469/hpc/12993 | Endo_TS1_G16_PCM_dichloroethane_def2tzvpp_v_01_reactant |
| 10.14469/hpc/12992 | Endo_TS1_G16_PCM_chlorobenzene_def2tzvpp_v_01 |
| 10.14469/hpc/12991 | Endo_TS1_G16_PCM_chlorobenzene_def2tzvpp_v_01_reactant |
| 10.14469/hpc/13077 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01_reactant_bis(dimethylamine) |
| 10.14469/hpc/13078 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_bis(trifluoromethyl) |
| 10.14469/hpc/13079 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01_reactant_bis(trifluoromethyl) |
| 10.14469/hpc/13092 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_02_bis(trifluoromethyl) |
| 10.14469/hpc/13094 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant_bis(trifluoromethyl) |
| 10.14469/hpc/13091 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant_bis(dimethylamine) |
| 10.14469/hpc/13122 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01_reactant_bis(dimethylamine)_stretched |
| 10.14469/hpc/13076 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_bis(dimethylamine) |
| 10.14469/hpc/13124 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant_bis(dimethylamine)_stretched |
| 10.14469/hpc/13110 | Endo_TS1_G16_PCM_DCM_def2tzvpp_v_02_bis(dimethylamine) |
| 10.14469/hpc/13155 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_01_3_explicit_solvents |
| 10.14469/hpc/13123 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_03_reactant_3_explicit_solvents |
| 10.14469/hpc/13073 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_2_explicit_solvents |
| 10.14469/hpc/13072 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_reactant_2_explicit_solvents |
| 10.14469/hpc/13075 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_1_explicit_solvent |
| 10.14469/hpc/13074 | Endo_TS1_G16_PCM_chloroform_def2tzvpp_v_02_reactant_1_explicit_solvent |