1 to 6 of 6 Results
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. |
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... |
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
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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. |
Apr 28, 2022
Kunkel, Christian, 2022, "Digital catalysis DoE", https://doi.org/10.17617/3.OPCILR, Edmond, V2
AC Archive Id: D53301 gen_pid: 59617764-138b-491d-9696-16376aafc9d4 URL: https://ac.archive.fhi.mpg.de/D53301 |
Apr 11, 2022
Kunkel, Christian, 2022, "Digital catalysis DoE, first generation, synthesis", https://doi.org/10.17617/3.GESYJW, Edmond, V2
AC Archive Id: D52750 gen_pid: catlab-wp4-doe-0001 URL: https://ac.archive.fhi.mpg.de/D52750 |