Metrics
1,184,072 Downloads
Contact Share
Featured Dataverses

In order to use this feature you must have at least one published dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Advanced Search

31 to 40 of 43 Results
Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO
Dec 31, 2022
Panosetti, Chiara, 2022, "Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO", https://doi.org/10.17617/3.CRSJQV, Edmond, V1
Dataset for GAP and GPrep training for Ru and RuO; dftb parameters for Ru and RuO. Ru and RuO datasets are divided into generations, used for the iterative convergence of the GAP. DFTB parameters were obtained using the last training set for each system.
dataset of ozone pollution in Beijing
Nov 18, 2022
Wang, Wenjie, 2022, "dataset of ozone pollution in Beijing", https://doi.org/10.17617/3.8A6SXQ, Edmond, V1
Reference data for paper "Precise ozone mitigation strategy from the perspective of atmospheric oxidation capacity". When using the data, please refer to the paper mentioned above. If further data needed, please contact the corresponding authors.
ND and XRD simulation data of selected Li-GICs
Oct 11, 2022
Panosetti, Chiara, 2022, "ND and XRD simulation data of selected Li-GICs", https://doi.org/10.17617/3.5Z15UH, Edmond, V1
Neutron diffraction (ND) and x-ray diffraction (XRD) simulation data of selected Li-GICs. Table 1 (file name Table1SI_LiC3_vs_LiC6.xlsx) contains a comparison of simulated ND and XRD spectra between LiC6 and LiC3. Table 2 (file name Table2SI_LiC2_vs_LiC6.xlsx) contains a comparis...
Chemical modification by peroxynitrite enhances TLR4 activation of the grass pollen allergen Phl p 5
Chemical modification by peroxynitrite enhances TLR4 activation of the grass pollen allergen Phl p 5
Oct 10, 2022
Reinmuth-Selzle, Kathrin, 2022, "Chemical modification by peroxynitrite enhances TLR4 activation of the grass pollen allergen Phl p 5", https://doi.org/10.17617/3.98W1BB, Edmond, V2
In this study, we investigate how the physiological reagent peroxynitrite (ONOO– ) can change TLR4 activation of the grass pollen allergen Phl p 5 through protein nitration and the formation of protein dimers and higher oligomers.
Model structures for glass phases of the solid-state electrolyte LPS
Aug 17, 2022
Scheurer, Christoph, 2022, "Model structures for glass phases of the solid-state electrolyte LPS", https://doi.org/10.17617/3.VZHSXS, Edmond, V1
This dataset contains several representative glass structures for stoichiometries Li3PS4, Li4P2S7, and Li7P3S11 from the class of Li2S-P2S5 (LPS) solid-state electrolytes (SSE).
Atomistic Grain-Boundary Model of the Solid-State-Electrolyte LATP
Aug 9, 2022
Scheurer, Christoph, 2022, "Atomistic Grain-Boundary Model of the Solid-State-Electrolyte LATP", https://doi.org/10.17617/3.KJWDRB, Edmond, V1
This data set contains atomistic model structures related to the publication DOI: 10.1002/aenm.202100707 .
Data for: Programmable synthetic cell networks regulated by tuneable reaction rates
Data for: Programmable synthetic cell networks regulated by tuneable reaction rates
Jun 14, 2022
Tang, Dora; Gao, Mengfei; Fracasso, Giorgio; Zambrano,Adrian, 2022, "Data for: Programmable synthetic cell networks regulated by tuneable reaction rates", https://doi.org/10.17617/3.6FGVUS, Edmond, V1
CytochromeC_DFT
May 31, 2022
Anggara, Kelvin, 2022, "CytochromeC_DFT", https://doi.org/10.17617/3.VJ9ZIM, Edmond, V1
XYZ structures and trajectories for Cytochrome C modeling at the level of Density Functional Theory.
High-power relaxation dispersion NMR data set at different ligand concentrations: a litmus test for classification of recognition mechanism
May 29, 2022
Chakrabarti, Kalyan S; Pratihar, Supriya; Giller, Karin; Overkamp, Kerstin; Lee, Ko On; Ryu, Kyoung-Seok; Becker, Stefan; Lee, Donghan; Griesinger, Christian, 2022, "High-power relaxation dispersion NMR data set at different ligand concentrations: a litmus test for classification of recognition mechanism", https://doi.org/10.17617/3.AVKYZC, Edmond, V1
High-power relaxation dispersion of ubiquitin (with SH3c titrated in) The high-power relaxation dispersion experiments were measured using the 15N based constant time E-CPMG experiment for quantifying kinetics of exchange processes in ubiquitin happening on a micro-to-millisecond...
DLPNO-CCSD(T) calculations for mononuclear Fe complexes
May 6, 2022
Drosou, Maria; Pantazis, Dimitrios A., 2022, "DLPNO-CCSD(T) calculations for mononuclear Fe complexes", https://doi.org/10.17617/3.XWIA1R, Edmond, V1
Orca output files of DLPNO-CCSD(T) calculations on Fe complexes. Based on these results electronic energy differences between the high- and low-spin state isomers can be computed. Each directory contains results for each of the complexes as numbered in the original research paper...
Add Data

Sign up or log in to create a dataverse or add a dataset.

Sign Up Log In
Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.