51 to 60 of 196 Results
Mar 21, 2022 - SFB 1333 C1 - Dyballa group, ITC
Li, Zheng, 2022, "Publication data for: "The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts"", https://doi.org/10.18419/DARUS-2689, DaRUS, V1
All primary data files and processed data of the journal article "The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts" from C1 group. Containing MAS NMR, ICP-OES, N2 physisorption data. The NMR data (.dx-file) can be opened with TopSpin software |
Li, Zheng, 2021, "Publication data for: "Effect of aluminum and sodium on the sorption of water and methanol in microporous MFI-type zeolites and mesoporous SBA-15 materials" - data from Dyballa group", https://doi.org/10.18419/DARUS-1332, DaRUS, V1, UNF:6:AsFeGrWddEXJg6C5yVopJw== [fileUNF]
All primary data files and processed data of the journal article from Dyballa group. This Dataset contains the measurement results from ICP-OES , N2-Physisorption, MAS-NMR and TGA-DSC. The data are sorted by the position in the article (Table 1, Table 2 and so on). The NMR data (.dx-file) can be opened with TopSpin software. |
Aug 3, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Markus, Felix; Bruckner, Johanna R.; Naumann, Stefan, 2023, "Data for "Controlled Synthesis of “Reverse Pluronic”-Type Block Copolyethers with High Molar Masses for the Preparation of Hydrogels with Improved Mechanical Properties"", https://doi.org/10.18419/DARUS-1814, DaRUS, V1
The data is structured according to tables (and specific table entries) and schemes in the research article and contains the following data types: NMR raw data, GPC raw data, rheology raw data (the latter two in the form of exported .txt-files). The NMR data can be used to calculate average block lengths of the polyethers. GPC data allow for relati... |
Oct 19, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina; Kästner, Johannes, 2023, "Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"", https://doi.org/10.18419/DARUS-3668, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the input-files are named "*.chm" and the output-files are named "out". |
Nov 26, 2024 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2024, "Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanism"", https://doi.org/10.18419/DARUS-4048, DaRUS, V1
In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format. |
Mar 21, 2022 - SFB 1333 C1 - Dyballa group, ITC
Li, Zheng, 2022, "Publication data for: "Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid" - data from C1 group", https://doi.org/10.18419/DARUS-2691, DaRUS, V1, UNF:6:rP/E6YyqURL4Edf0ULJOaQ== [fileUNF]
All primary data files and processed data of the journal article from C1 group. Containing MAS NMR and IR data. NMR data (.dx-file) can be opened with Topspin. |
Atanasova, Petia, 2021, "Data from Bill group for: Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes", https://doi.org/10.18419/DARUS-1788, DaRUS, V1
This dataset contains primary and processed data files obtained by the Bill group for the related publication. The data from the other collaborating groups are included in a separate dataset. This dataset consists of scanning electron microscopy (SEM), confocal laser scanning microscopy (SEM) and Brunauer-Emmett-Teller (BET) nitrogen sorption data.... |
Mar 22, 2022 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2022, "Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2325, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations including population analysis (Natural population analysis, Hirshfeld population analysis, CM5 population analysis). Additionally, the spreadsheet with the calculations of the partial charges of the fragments is listed. |
Aug 7, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina V.; Kästner, Johannes, 2023, "Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2"", https://doi.org/10.18419/DARUS-3259, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in the publication. The Geometry Optimizations can be found in the folders "Opt" and the Single-point energy calculations can be found in the folders "SP". All calculations were... |
Rieg, Carolin, 2021, "Publication data for: "A Method for the Selective Quantification of Bronsted Acid Sites on External Surfaces and in Mesopores of Hierarchical Zeolites" - data from Dyballa group", https://doi.org/10.18419/DARUS-1326, DaRUS, V1
All primary data files and processed data of the journal article from Dyballa group. The uploaded data are sorted by the method of measurement, ICP-OES (inductively coupled plasma optical emission spectrometry), N2-Physisorption (BET), and MAS-NMR. NMR files are uploaded as jcampdx data and were processed with MestReNova. Also, SEM (scanning electr... |
