Endo TS1 B2PLYP-D3/def2-TZVPP Model
DOI: 10.14469/hpc/13038 Metadata
Created: 2023-08-11 13:00
Last modified: 2023-08-25 15:00
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 |
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10.14469/hpc/13048 | Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01 |
10.14469/hpc/13047 | Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01_reactant |
10.14469/hpc/13046 | Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01 |
10.14469/hpc/13045 | Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01_reactant |
10.14469/hpc/13044 | Endo_TS1_G16_PCM_DCM_b2plyd3_def2tzvpp_v_01 |
10.14469/hpc/13043 | Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01_reactant |
10.14469/hpc/13042 | Endo_TS1_G16_PCM_dichloroethane_b2plypd3_def2tzvpp_v_01 |
10.14469/hpc/13041 | Endo_TS1_G16_PCM_dichloroethane_b2plypd3_def2tzvpp_v_01_reactant |
10.14469/hpc/13040 | Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01 |
10.14469/hpc/13039 | Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01_reactant |