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1 to 9 of 9 Results
Balsac Gallery
Aug 9, 2023
Hermann, Klaus, 2022, "Balsac Gallery", https://doi.org/10.17617/3.FFFODN, Edmond, V14
Database of many figures showing substrate, surface, molecule, etc. structures produced with the Balsac software. The illustrations are taken from past and ongoing research. They are meant for information and stimulation.
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.
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...
Digital catalysis DoE
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
Digital catalysis DoE, first generation, synthesis
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
StoBe Windows download
Mar 23, 2022
Hermann, Klaus, 2022, "StoBe Windows download", https://doi.org/10.17617/3.HAN3CT, Edmond, V3
StoBe Linux download
Mar 23, 2022
Hermann, Klaus, 2022, "StoBe Linux download", https://doi.org/10.17617/3.YOLSFH, Edmond, V3
StoBe installation package for Linux
LEEDpat Workbench
LEEDpat Workbench
Mar 21, 2022
Hermann, Klaus, 2022, "LEEDpat Workbench", https://doi.org/10.17617/3.XUSAGJ, Edmond, V1
LEEDpat workbench
LEEDpat download package
Mar 19, 2022
Hermann, Klaus, 2022, "LEEDpat download package", https://doi.org/10.17617/3.8AYKWU, Edmond, V5
LEEDpat download package
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