5,491 to 5,500 of 5,569 Results
Gzip Archive - 26.1 GB -
MD5: dfbf15f4f36da29bb5a366272b286102
Simulation results of OpenFOAM & MBDyn for a flying cycloidal rotor, without a coupling of the blade deformation |
Gzip Archive - 3.6 KB -
MD5: 26b1528e385b1b7f1bc9d62bef666387
Custom OpenFOAM class to couple a rotation motion via preCICE with OpenFOAM. |
Adobe PDF - 76.3 KB -
MD5: e1213e81aaf62355f382d855538c4369
README |
Gzip Archive - 5.6 MB -
MD5: a05ab0ca6832cf0848502d2481f7b6fb
Install guide |
Gzip Archive - 5.3 KB -
MD5: 21baee31bc807196bafe2cecbd5f9920
Custom OpenFOAM class to simulate multiple deforming bodies on a chimera background mesh.
Copyright (c): Louis Gagnon |
Jan 11, 2022 - Molecular Simulation
Kraus, Hamzeh; Rybka, Julia; Hansen, Niels, 2022, "Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'", https://doi.org/10.18419/DARUS-488, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology and simulation parameter-files are provided for six simulations - two pore sizes of 9nm and 6nm, each with simulations of pure substrate, pure product and a mixture of both, each with benzene as solute. Both pore-sizes are func... |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
Unknown - 613 B -
MD5: 043006872b7b8dc9208aa80aaa779715
Cartesian coordinates of a single benzene molecule in .gro format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 5.1 KB -
MD5: 5465f18e1555ce4c21c6134541ef6018
Topology file of a benzene molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
Unknown - 5.6 MB -
MD5: 3f6636d22938470528cd06eaa166c743
Cartesian coordinates of the simulation box of the 6 nm pore containing a mixture of substrate and product in .gro format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
Unknown - 5.6 MB -
MD5: aef7fec5fba41087e36d9f7bc2d7c7d1
Cartesian coordinates of the simulation box of the 6 nm pore containing pure product in .gro format. |