Locating Guest Molecules inside Metal–Organic Framework Pores with a Multilevel Computational Approach

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Authors: Michelle Ernst, Tomasz Poręba, Lars Gnägi, Ganna Gryn’ova

Journal title: The Journal of Physical Chemistry C

Journal publisher: American Chemical Society

Published year: 2022

DOI identifier: 10.26434/chemrxiv-2022-93pst-v2

ISSN: 1932-7455