Endo TS1 B3LYP/def2-QZVPP Model
DOI: 10.14469/hpc/13003 Metadata
Created: 2023-08-11 12:36
Last modified: 2023-08-25 14:43
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/13013 | Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01 |
10.14469/hpc/13012 | Endo_TS1_G16_PCM_DCM_def2qzvpp_v_01_reactant |
10.14469/hpc/13011 | Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01 |
10.14469/hpc/13010 | Endo_TS1_G16_PCM_carbon_tetrachloride_def2qzvpp_v_01_reactant |
10.14469/hpc/13009 | Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01 |
10.14469/hpc/13008 | Endo_TS1_G16_PCM_chlorobenzene_def2qzvpp_v_01_reactant |
10.14469/hpc/13007 | Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01 |
10.14469/hpc/13006 | Endo_TS1_G16_PCM_chloroform_def2qzvpp_v_01_reactant |
10.14469/hpc/13005 | Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01 |
10.14469/hpc/13004 | Endo_TS1_G16_PCM_dichloroethane_def2qzvpp_v_01_reactant |