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Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

, , and . Software, (2023)Related to: Ingo Tischler, Alexander Schlaich, Christian Holm. Disentanglement of Surface and Confinement Effects for Diene Metathesis in Mesoporous Confinement. ACS Omega 2023. doi: 10.1021/acsomega.3c06195.
DOI: 10.18419/darus-3642

Abstract

The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text data files and python scripts. The structure within the tar file is according to the different simulations, where we looked at different systems (bulk, flat, slit, pore), the different system diameters (width_x.x) and the different lengths of the polymers (l_22, l_29). The analysis scripts calculate all the necessary data from these systems.

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