Computational Screening for Nested Organic Cage Complexes



Berardo, Enrico, Greenaway, Rebecca L ORCID: 0000-0003-1541-4399, Miklitz, Marcin, Cooper, Andrew I ORCID: 0000-0003-0201-1021 and Jelfs, Kim E
(2020) Computational Screening for Nested Organic Cage Complexes. Molecular Systems Design and Engineering, 5 (1). pp. 186-196.

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Abstract

<p>Computational simulations were used to screen 8712 combinations of porous organic cages for energetically favourable nested cage complexes.</p>

Item Type: Article
Depositing User: Symplectic Admin
Date Deposited: 11 Sep 2019 07:32
Last Modified: 19 Jan 2023 00:26
DOI: 10.1039/C9ME00085B
Related URLs:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3054195