Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner groupdoi:10.18419/darus-1459DaRUS2021-04-141Dietrich, Carolin; Schuldt, Robin; Born, Daniel; Solodenko, Helena; Schmitz, Guido; Kästner, Johannes, 2021, "Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group", https://doi.org/10.18419/darus-1459, DaRUS, V1Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner groupdoi:10.18419/darus-1459Dietrich, CarolinSchuldt, RobinBorn, DanielSolodenko, HelenaSchmitz, GuidoKästner, Johannes358283783 - SFB 1333DaRUSDietrich, CarolinDietrich, Carolin2021-02-26ChemistryDensity Functional Theory (DFT)FragmentationField EvaporationStrong Electric FieldsDensity-Functional TheoryAll primary data files and processed data of the journal article from Kästner group. Turbomole input and output files for all calculations used in the paper, one directory per case.Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-864210.1021/acs.jpca.0c06887Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642amino-undecanthiolate.zipapplication/zipfluoro-decanethiolate.zipapplication/zipsulfur.zipapplication/zip