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1 to 10 of 15 Results
Oct 13, 2023
Wang, Wenjie, 2022, "Measurement data of ozone pollution in Beijing", https://doi.org/10.17617/3.LEFS4A, Edmond, V5
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.
Jun 7, 2023
Pantazis, Dimitrios; Sirohiwal, Abhishek, 2022, "Water Channels in Fully Hydrated Cyanobacterial Photosystem II", https://doi.org/10.17617/3.B2AKNU, Edmond, V2
Selected structures (in the Protein Data Bank format) from molecular dynamics simulations depicting water channels within fully hydrated Photosystem II. All structures are based on the 3WU2 PSII model, but with fully completed/remodeled protein sequence and cofactor assignment. T...
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.
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.
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...
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.
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).
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 .
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
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.
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