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

Author: Siwoo Lee

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Portal project

Member of collection / collaboration

DOIDescription
10.14469/hpc/13057 Mechanism of the Swern oxidation: Transition state kinetic isotope effect calculations

Members

DOIDescription
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

Edit