Software Name: Turbomole
Topic Classification Term: Density-Functional Theory ((Loterre Chemistry Vocabulary))
Keyword Term: Atom Probe Tomography
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Aug 8, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Schwarz, Tim M.; Dietrich, Carolin; Ott, J.; Weikum, Erik; Lawitzki, Robert; Solodenko, Helena; Hadjixenophontos, Efi; Gault, Baptiste; Kästner, Johannes; Schmitz, Guido; Stender, Patrick, 2023, "Publication data for: "3D Sub-Nanometer Analysis of Glucose in an Aqueous Solution by Cryo-Atom Probe Tomography"", https://doi.org/10.18419/darus-1508, DaRUS, V1
All primary data files and processed data of the journal article. DFT calculations to the fragmentation of glucose cations to explain the peaks in the APT mass spectrum. Glucose with attached water molecules and glucose with fractions removed. Each directory contains the input an... |