Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
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DOI | https://doi.org/10.18419/darus-1138 |
Related Identifier | https://doi.org/10.1002/cctc.202001596 |
Metadata Access | https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-1138 |
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Resource Type | Input files for molecular dynamics simulations with GROMACS and input and output files with ORCA.; Dataset |
Format | application/octet-stream; application/vnd.shana.informed.formtemplate; text/plain; chemical/x-gamess-input; application/x-aportisdoc; chemical/x-xyz; text/x-fixed-field |
Size | 38697; 3519; 33887; 879; 12388; 29902579; 7429; 5564; 4541688; 5936; 7639; 4; 250977; 160766; 2722050; 7358; 103; 11881; 240671; 68856; 874; 6233; 3078; 2034; 2360; 568; 1025412; 251356956; 2364; 556; 3344328; 2563804328; 6021819; 2522; 18850; 801; 260198264; 1416 |
Version | 1.0 |
Discipline | Chemistry; Natural Sciences; Physics |