%0 Chart or Table
%A Vereecken, Luc
%T Replication Data for: H-shift and Cyclization Reactions in Unsaturated Alkylperoxy Radicals near Room Temperature: propagating or terminating autoxidation ?
%I Jülich DATA
%M FZJ-2024-05652
%D 2024
%X Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ and M06-2X/aug-cc-pVTZ levels of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ
%F PUB:(DE-HGF)32
%9 Dataset
%R 10.26165/JUELICH-DATA/ZGIZV3
%U https://juser.fz-juelich.de/record/1031421