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

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/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

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