Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"

DOI

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp). Also Jupyter notebooks to load and display the results are uploaded.

Identifier
DOI https://doi.org/10.18419/DARUS-5511
Related Identifier IsCitedBy https://doi.org/10.1039/d5cy01483b
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-5511
Provenance
Creator Högler, Marc ORCID logo; Hansen, Niels ORCID logo
Publisher DaRUS
Contributor Högler, Marc; Hansen, Niels
Publication Year 2026
Funding Reference DFG 358283783 - SFB 1333
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Högler, Marc (University of Stuttgart); Hansen, Niels (University of Stuttgart)
Representation
Resource Type Dataset
Format application/x-ipynb+json; application/octet-stream; application/pdf; application/x-tgif; application/vnd.shana.informed.formtemplate
Size 166599; 325573; 1706; 18082; 1976; 21214; 2246; 24342; 2516; 27472; 255; 22474; 6278; 3107401; 3060238; 3106393; 3109102; 3055639; 3151966; 3093463; 3054694; 3059545; 3108472; 506; 1492; 1435; 16753; 14328; 14881; 26443; 2157640; 3031630; 964; 1740; 10222794; 12331799; 1676; 10092144; 12148985; 543; 545; 10500822; 7551988; 10500851; 10500805; 10299176; 10500823; 10180104; 10500825; 10500827; 10500845; 10500809; 10299195; 10500817; 10299165; 10500833; 6386736; 10149292; 10450302; 10326102; 10158193; 10322997; 10341181; 10152604; 10298953; 10338936; 5175087; 10156123; 6327; 5767; 6271; 740; 9202; 648; 1249; 1252; 1251; 1250; 1327; 1330
Version 1.0
Discipline Chemistry; Computer Science; Computer Science, Electrical and System Engineering; Engineering Sciences; Natural Sciences