Publication Year: 2021
Topic Classification Term: Density-Functional Theory ((Loterre Chemistry Vocabulary))
Software Name: ChemShell
1 to 2 of 2 Results
Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Dietrich, 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, V1
All 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. |
Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Schwarz, Tim; Weikum, Erik; Meng, Kuan; Hadjixenophontos, Efi; Dietrich, Carolin; Kästner, Johannes; Stender, Patrick; Schmitz, Guido, 2021, "Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group", https://doi.org/10.18419/darus-1462, DaRUS, V1
All primary data files and processed data of the journal article from Kästner group (DFT calculations). |