Data for: Strand structure controls photoinduced self-repair of RNA uracil dimers

Result of quantum chemical and QM/MM calculations for damaged GAU=U and U=UAG tetranucleotides and clustering analyses of molecular dynamics trajectories simulated to study their conformational spaces. Includes: input and output files of Turbomole and Orca quantum chemistry programs, analyses of electronic excitations performed with the TheoDore 3.2 package, PDB and XYZ files of molecular geometries.