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Jülich DATA (Forschungszentrum Jülich GmbH)
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Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface
Jan 27, 2021 - Peter Grünberg Institut – Quantum Nanoscience (PGI-3)
Larissa Egger; Michael Hollerer; Christian S. Kern; Hannes Herrmann; Philipp Hurdax; Anja Haags; Xiaosheng Yang; Alexander Gottwald; Mathias Richter; Serguei Soubatch; F. Stefan Tautz; Georg Koller; Peter Puschnig; Michael G. Ramsey; Martin Sterrer, 2021, "Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface", https://doi.org/10.26165/JUELICH-DATA/TPHMSN, Jülich DATA, V1
We provide here the raw data used to produce the figures in the publication Egger et al. Angewandte Chemie International Edition 2021, 60, 1 – 6 , DOI: 10.1002/anie.202015187. All metadata necessary to analyze the data are contained in the files. 12042-Ag(100)--35Pe---Fermi.txt,...
12042-Ag(100)--35Pe---Fermi.txt
Plain Text - 12.5 MB - SHA-256: 2cca858feb9fa930a63773ce3b5b4d28d9e6e147016f7c8866431e86af62ea3e
f-LUMO
12046-Ag(100)--35Pe---Fermi.txt
Plain Text - 10.4 MB - SHA-256: 6856d0cfbe7f15edb28438dcc1531ce9b22f782e245eca89397bd7e076028b47
HOMO and HOMO-1
Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models
Dec 18, 2020 - Metabolic Networks
Johann F. Jadebeck; Axel Theorell; Samuel Leweke; Katharina Nöh, 2020, "Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models", https://doi.org/10.26165/JUELICH-DATA/YXLFKJ, Jülich DATA, V1
This collection contains showcased models and pre-processing results (determining an independent flux space and rounding) that are used as basis for benchmarking the uniform sampling performance of the CHHR implementations of the HOPS library [10.1093/bioinformatics/btaa872] (htt...
A_e_coli_core_rounded.csv
Comma Separated Values - 57.6 KB - SHA-256: 72fe0fa967668486bbbfd09d79b058355597d83fddfc36ec5e8737ff4c2639a8
A_e_coli_core_unrounded.csv
Comma Separated Values - 18.8 KB - SHA-256: a624399deea3876f61fbb4883925f9011fc5d3d76fd6aaf5f00b9cf59505603b
A_iAT_PLT_636_rounded.csv
Comma Separated Values - 7.9 MB - SHA-256: 99060ccea86dad2520d8ceae6e27e9731cfa55a443c43a9cb1c7e4b5a343bc87
A_iAT_PLT_636_unrounded.csv
Comma Separated Values - 1.3 MB - SHA-256: 10f1083101c3e1635cc665cc5a6857498ce0ce5e08e1f0d5c4b931b4e0559cf3
A_iJO1366_rounded.csv
Comma Separated Values - 23.2 MB - SHA-256: ac96da0b345ea1c4d00547f7a1201b31decfcebc670dfbbf37db875b21e93489
A_iJO1366_unrounded.csv
Comma Separated Values - 4.0 MB - SHA-256: b9d70fad740c828a21c0974de5f208f51abc2d6f629573ec9de22f4390b8ec9a
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