10.26165/JUELICH-DATA/4JCZ9OVereecken, LucLucVereecken0000-0001-7845-684XForschungszentrum Jülich GmbHQuantum chemical data on the atmospheric oxidation mechanism of dimethylsulfideJülich DATA2021ChemistryVereecken, LucLucVereeckenForschungszentrum Jülich GmbH2021-10-112022-03-1610.1029/2021GL096838542503text/plain1.1CC0 WaiverThis data set provides the quantum chemical data characterizing reactions in the OH-initiated oxidation of dimethylsulfide (DMS). It focuses mainly on the chemistry of hydroperoxymethylthioformate (HPMTF). Geometries and vibrational wavenumbers are obtained at the M06-2X-D3/aug-cc-pV(T+d)Z level of theory, with energies refined at the CCSD(T)/aug-cc-pV(Q+z)Z level of theory.