271 to 280 of 368 Results
Jul 10, 2023 - Institute of Climate and Energy Systems – Troposphere (ICE-3)
Vereecken, Luc, 2023, "Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway", https://doi.org/10.26165/JUELICH-DATA/9JVHEK, Jülich DATA, V1
Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ |
Jul 1, 2023 - Institute of Climate and Energy Systems – Troposphere (ICE-3)
Wieser, Felix; Taraborrelli, Domenico; Sander, Rolf, 2023, "Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"", https://doi.org/10.26165/JUELICH-DATA/FNT6BK, Jülich DATA, V1
This dataset includes the main data obtained during the study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" (DOI:10.5194/gmd-2023-102). The updated model code can be found at zenodo.org (DOI:10.... |
Jun 27, 2023 - Peter Grünberg Institut – Quantum Nanoscience (PGI-3)
Ruiz, Victor G.; Wagner, Christian; Maaß, Friedrich; Arefi, Hadi H.; Stremlau, Stephan; Tegeder, Petra; Tautz, F. Stefan; Tkatchenko, Alexandre, 2023, "Data used in: Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule-surface interface", https://doi.org/10.26165/JUELICH-DATA/HQXCXC, Jülich DATA, V2
We provide here the raw data used to produce the figures in the publication Ruiz et al., Communications Chemistry (2023), DOI: 10.1038/s42004-023-00925-2 |
Jun 22, 2023 - Institute of Neuroscience and Medicine – Brain and Behaviour (INM-7)
Camilleri, Julia; Weis, Susanne, 2023, "SpEx - Speech and executive function", https://doi.org/10.26165/JUELICH-DATA/CHWZDZ, Jülich DATA, V1
The goal of this study was to generate a dataset that capitalises on both the rich variety of attributes that can be found in speech as well as the modern methods that allow the extraction of such attributes. To this aim, a dataset was generated consisting of speech data from 148... |
Jun 20, 2023 - Institute of Fusion Energy and Nuclear Waste Management – Nuclear Waste Management (IFN-2)
Yang, Yuankai, 2023, "Simulation data for: Pore-scale modeling of water and ion diffusion in partially saturated clays", https://doi.org/10.26165/JUELICH-DATA/JINHGU, Jülich DATA, V1
This dataset contains a table of simulated relative effective diffusion coefficients in partially saturated clays under various conditions by a pore-scale model. In addition, the electric potential distribution and the concentration distributions of tritiated water, 22Na+ and 125... |
Jun 5, 2023 - Ernst Ruska Centre – Structural Biology (ER-C-3)
Mann, Daniel, 2023, "Atg2-C-term*Atg18 Alphafold prediction data for https://doi.org/10.1101/2022.07.26.501514", https://doi.org/10.26165/JUELICH-DATA/PX1GXR, Jülich DATA, V1
Inputs and outputs of the AlphaFold Multimer prediction for c-terminal Atg2 and Atg18. Raw data associated to preprint "Structural plasticity of Atg18 oligomers: organization of assembled tubes and scaffolds at the isolation membrane" https://doi.org/10.1101/2022.07.26.501514 |
May 22, 2023 - Spectroscopy
Szczuka, Conrad; Rüdiger-A. Eichel; Josef Granwehr, 2023, "Replication Data and Matlab Code for: StructureHyperfineRelations", https://doi.org/10.26165/JUELICH-DATA/UH0LM2, Jülich DATA, V1
Supporting data and scripts to the publication "Gauging the importance of structural parameters for hyperfine coupling constants in organic radicals". In the accompanying publication, we present a procedure based on a statistical approach to gauge the importance of structure para... |
Singh, Juhi; Zeier, Robert; Calarco, Tommaso; Motzoi, Felix, 2023, "Replication Data for: https://arxiv.org/abs/2210.07833v2", https://doi.org/10.26165/JUELICH-DATA/FJO68W, Jülich DATA, V1
The files contains all the data used for generating all figures in the manuscript. All the folders the named according to the figure numbers. |
Apr 21, 2023 - Quantum Materials Matrix Collection
Di Napoli, Edoardo, 2023, "Replication Data for: Advancing the ChASE library through algorithm optimization and multi-level MPI parallelism", https://doi.org/10.26165/JUELICH-DATA/OFQWGZ, Jülich DATA, V1
This dataset includes a set of matrices generated by Condensed Matter simulation software which were used to test the ChASE library in the manuscript bearing the same title as the dataset, and submitted to SC23 conference. Each Hermitian matrix is stored in double precision as a... |
Mar 21, 2023 - Institute of Fusion Energy and Nuclear Waste Management – Nuclear Waste Management (IFN-2)
Marques Fernandes, Maria; Klinkenberg, Martina; Baeyens, Bart; Brandt, Felix, 2023, "Experimental data for: Adsorption of Ba and 226Ra on illite: a comparative experimental and modelling study", https://doi.org/10.26165/JUELICH-DATA/SECCU6, Jülich DATA, V2
The adsorption of Ba and 226Ra on Na-illite (Illite du Puy, IdP) was studied in single element experiments as a function of pH and ionic strength. In addition, 137Ba/133Ba isotherms at different pH values were measured and the adsorption of trace 226Ra was quantified as a functio... |
