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Subject: Chemistry Deposit Date: 2023

31 to 38 of 38 Results

Replication Data for: How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - a Solid-state NMR Study Jun 7, 2023 - Dyballa Group Dyballa, Michael, 2023, "Replication Data for: How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - a Solid-state NMR Study", https://doi.org/10.18419/darus-3546, DaRUS, V1 Original data (Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here.
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems May 26, 2023 - Materials Design Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1 Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...
Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals May 12, 2023 - Materials Design Forslund, Axel; Jung, Jong Hyun; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals", https://doi.org/10.18419/darus-3339, DaRUS, V1 Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). This data set contains - the training sets (VAS...
NGS data related to Adam et al.: On the accuracy of the epigenetic copy machine - comprehensive specificity analysis of the DNMT1 DNA methyltransferase Apr 27, 2023 - Amplicon based bisulfite NGS data Jeltsch, Albert; Bashtrykov, Pavel; Adam, Sabrina, 2023, "NGS data related to Adam et al.: On the accuracy of the epigenetic copy machine - comprehensive specificity analysis of the DNMT1 DNA methyltransferase", https://doi.org/10.18419/darus-3334, DaRUS, V2, UNF:6:ERMvcNuV8nq+mI9Q5Xu53A== [fileUNF] Expression and purification of DNMT1 for biochemical work Full length murine DNMT1 (UniProtKB P13864) was overexpressed and purified as described (Adam, et al. 2020) using the Bac-to-Bac baculovirus expression system (Invitrogen). The expression construct of the DNMT1 with mutate...
Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy" Apr 26, 2023 - SFB 1333 A4 - Bruckner group Beurer, Ann-Katrin; Dieterich, Sonja; Solodenko, Helena; Kaya, Elif; Merdanoǧlu, Naǧme; Schmitz, Guido; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"", https://doi.org/10.18419/darus-3348, DaRUS, V1 All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", are deposited. File types wh...
Replication Data for: "Better Performance in C2‑Conversion to Aromatics by Optimized Feed and Catalysts" Apr 14, 2023 - Dyballa Group Dyballa, Michael, 2023, "Replication Data for: "Better Performance in C2‑Conversion to Aromatics by Optimized Feed and Catalysts"", https://doi.org/10.18419/darus-3407, DaRUS, V1 Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset.
Data for: Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid Feb 7, 2023 - Traa Group Häussermann, Dorothea, 2023, "Data for: Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid", https://doi.org/10.18419/darus-3338, DaRUS, V1 This dataset encludes all gas chromatography (GC), 27Al magic angle spinning nuclear magnetic resonance spectroscopy (27Al MAS NMR), x-ray diffraction (XRD), CO2 physisorption, inductively coupled plasma optical emission spectroscopy (ICP-OES) data and scanning electron microscop...
From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics Feb 2, 2023 - EnzymeML Häußler, Max, 2023, "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics", https://doi.org/10.18419/darus-3337, DaRUS, V1 Master thesis in the form of a JupyterBook with the title: "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics" JupyterBook can be accessed via: https://haeussma.github.io/masterthesis/welcome.html Goal of the thesis was the developme...

Replication Data for: How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - a Solid-state NMR Study

Jun 7, 2023 - Dyballa Group

Dyballa, Michael, 2023, "Replication Data for: How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - a Solid-state NMR Study", https://doi.org/10.18419/darus-3546, DaRUS, V1

Original data (Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here.

Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems

May 26, 2023 - Materials Design

Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1

Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...

Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals

May 12, 2023 - Materials Design

Forslund, Axel; Jung, Jong Hyun; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals", https://doi.org/10.18419/darus-3339, DaRUS, V1

Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). This data set contains - the training sets (VAS...

NGS data related to Adam et al.: On the accuracy of the epigenetic copy machine - comprehensive specificity analysis of the DNMT1 DNA methyltransferase

Apr 27, 2023 - Amplicon based bisulfite NGS data

Jeltsch, Albert; Bashtrykov, Pavel; Adam, Sabrina, 2023, "NGS data related to Adam et al.: On the accuracy of the epigenetic copy machine - comprehensive specificity analysis of the DNMT1 DNA methyltransferase", https://doi.org/10.18419/darus-3334, DaRUS, V2, UNF:6:ERMvcNuV8nq+mI9Q5Xu53A== [fileUNF]

Expression and purification of DNMT1 for biochemical work Full length murine DNMT1 (UniProtKB P13864) was overexpressed and purified as described (Adam, et al. 2020) using the Bac-to-Bac baculovirus expression system (Invitrogen). The expression construct of the DNMT1 with mutate...

Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"

Apr 26, 2023 - SFB 1333 A4 - Bruckner group

Beurer, Ann-Katrin; Dieterich, Sonja; Solodenko, Helena; Kaya, Elif; Merdanoǧlu, Naǧme; Schmitz, Guido; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"", https://doi.org/10.18419/darus-3348, DaRUS, V1

All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", are deposited. File types wh...

Replication Data for: "Better Performance in C2‑Conversion to Aromatics by Optimized Feed and Catalysts"

Apr 14, 2023 - Dyballa Group

Dyballa, Michael, 2023, "Replication Data for: "Better Performance in C2‑Conversion to Aromatics by Optimized Feed and Catalysts"", https://doi.org/10.18419/darus-3407, DaRUS, V1

Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset.

Data for: Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid

Feb 7, 2023 - Traa Group

Häussermann, Dorothea, 2023, "Data for: Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid", https://doi.org/10.18419/darus-3338, DaRUS, V1

This dataset encludes all gas chromatography (GC), 27Al magic angle spinning nuclear magnetic resonance spectroscopy (27Al MAS NMR), x-ray diffraction (XRD), CO2 physisorption, inductively coupled plasma optical emission spectroscopy (ICP-OES) data and scanning electron microscop...

From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics

Feb 2, 2023 - EnzymeML

Häußler, Max, 2023, "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics", https://doi.org/10.18419/darus-3337, DaRUS, V1

Master thesis in the form of a JupyterBook with the title: "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics" JupyterBook can be accessed via: https://haeussma.github.io/masterthesis/welcome.html Goal of the thesis was the developme...

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