In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
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41 to 50 of 7,624 Results
tip4pew_solute.itp
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
application/vnd.shana.informed.formtemplate - 1.4 KB - MD5: b8e193b7fede45827814e2db5b6bdcbb
tip4p.itp
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
application/vnd.shana.informed.formtemplate - 1.2 KB - MD5: de917ce206630a5f09b39ee1dbc647f4
tip5p.itp
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
application/vnd.shana.informed.formtemplate - 1.8 KB - MD5: 056793ff592c2e394d6144ee0497a07a
tmp2.txt
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
Plain Text - 999 B - MD5: 103b3e021347bf40385b2d99433783d7
tmp.dat
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
Fixed Field Text Data - 1.6 KB - MD5: 092774f848b325fcbc024ec72b917771
tmp.txt
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
Plain Text - 1.8 KB - MD5: 62ce5284249c174954c7b004348a5604
topology_C3.top
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
Unknown - 2.6 KB - MD5: abb12427b0ec94c4e347c668654a6d0d
urea.itp
Feb 14, 2025 - Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"
application/vnd.shana.informed.formtemplate - 1.2 KB - MD5: 961b60292b8668e4649b4f257086200e
Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"
Jan 16, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Högler, Marc; Kobayashi, Takeshi; Kraus, Hamzeh; Atwi, Boshra; Buchmeiser, Michael; Fyta, Maria; Hansen, Niels, 2025, "Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"", https://doi.org/10.18419/DARUS-4063, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing the option "tree".
1-heptane.gro
Jan 16, 2025 - Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"
Unknown - 1.1 KB - MD5: 0eea6342c66e3fddd6ade20526f58438
Cartesian coordinates of a single 1-heptane molecule in .gro format.
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