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18,951 to 18,960 of 20,019 Results

Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations Jan 28, 2021 - Dynamics of Complex Fluids and Interfaces Jung, David; Harting, Jens; Sega, Marcello, 2021, "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations", https://doi.org/10.26165/JUELICH-DATA/OWA443, Jülich DATA, V1 GROMACS topologies and equilibrium configurations of ternary mixtures of as presented in the article "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates". The file naming follows the convention as in this example: phi0.01_cs100.gro, where 0.01 stands for the volum...
Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations.tgz Jan 28, 2021 - Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations Gzip Archive - 69.2 MB - SHA-256: 608005df9a7b55580da02339c739d1e5eac369b3e320786e0ff7102c81485f2d
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 Jan 27, 2021 - Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface Plain Text - 12.5 MB - SHA-256: 2cca858feb9fa930a63773ce3b5b4d28d9e6e147016f7c8866431e86af62ea3e f-LUMO
12046-Ag(100)--35Pe---Fermi.txt Jan 27, 2021 - Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface 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 Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models Comma Separated Values - 57.6 KB - SHA-256: 72fe0fa967668486bbbfd09d79b058355597d83fddfc36ec5e8737ff4c2639a8
A_e_coli_core_unrounded.csv Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models Comma Separated Values - 18.8 KB - SHA-256: a624399deea3876f61fbb4883925f9011fc5d3d76fd6aaf5f00b9cf59505603b
A_iAT_PLT_636_rounded.csv Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models Comma Separated Values - 7.9 MB - SHA-256: 99060ccea86dad2520d8ceae6e27e9731cfa55a443c43a9cb1c7e4b5a343bc87
A_iAT_PLT_636_unrounded.csv Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models Comma Separated Values - 1.3 MB - SHA-256: 10f1083101c3e1635cc665cc5a6857498ce0ce5e08e1f0d5c4b931b4e0559cf3

Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations

Jan 28, 2021 - Dynamics of Complex Fluids and Interfaces

Jung, David; Harting, Jens; Sega, Marcello, 2021, "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations", https://doi.org/10.26165/JUELICH-DATA/OWA443, Jülich DATA, V1

GROMACS topologies and equilibrium configurations of ternary mixtures of as presented in the article "Monolayer Structure of Supramolecular Antagonistic Salt Aggregates". The file naming follows the convention as in this example: phi0.01_cs100.gro, where 0.01 stands for the volum...

Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations.tgz

Jan 28, 2021 - Monolayer Structure of Supramolecular Antagonistic Salt Aggregates - Topologies and Configurations

Gzip Archive - 69.2 MB - SHA-256: 608005df9a7b55580da02339c739d1e5eac369b3e320786e0ff7102c81485f2d

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

Jan 27, 2021 - Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface

Plain Text - 12.5 MB - SHA-256: 2cca858feb9fa930a63773ce3b5b4d28d9e6e147016f7c8866431e86af62ea3e

f-LUMO

12046-Ag(100)--35Pe---Fermi.txt

Jan 27, 2021 - Data used in: Charge-promoted self-metalation of porphyrins on an oxide surface

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

Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models

Comma Separated Values - 57.6 KB - SHA-256: 72fe0fa967668486bbbfd09d79b058355597d83fddfc36ec5e8737ff4c2639a8

A_e_coli_core_unrounded.csv

Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models

Comma Separated Values - 18.8 KB - SHA-256: a624399deea3876f61fbb4883925f9011fc5d3d76fd6aaf5f00b9cf59505603b

A_iAT_PLT_636_rounded.csv

Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models

Comma Separated Values - 7.9 MB - SHA-256: 99060ccea86dad2520d8ceae6e27e9731cfa55a443c43a9cb1c7e4b5a343bc87

A_iAT_PLT_636_unrounded.csv

Dec 18, 2020 - Replication Data for: HOPS: high-performance library for (non-)uniform sampling of convex-constrained models

Comma Separated Values - 1.3 MB - SHA-256: 10f1083101c3e1635cc665cc5a6857498ce0ce5e08e1f0d5c4b931b4e0559cf3

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