Misc,

Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'

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Software, (2021)Related to: Kraus, Hamzeh; Rybka, Julia; Alexandra, Höltzel; Trebel, Nicole; Tallarek, Ulrich; Hansen, Niels (2021): PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions. In: Molecular Simulation. doi: 10.1080/08927022.2020.1871478.
DOI: 10.18419/darus-1170

Abstract

This dataset contains Jupiter Notebooks and the necessary structure files needed for generating the pore systems discussed in the related publication. Additionally, high-resolution figures discussed in the paper are added.

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