Computational Screening for Nested Organic Cage Complexes



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

[thumbnail of Computational screening for nested organic cage complexes_accepted version.pdf] Text
Computational screening for nested organic cage complexes_accepted version.pdf - Author Accepted Manuscript

Download (4MB) | Preview

Abstract

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

Item Type: Article
Uncontrolled Keywords: 3402 Inorganic Chemistry, 3403 Macromolecular and Materials Chemistry, 3405 Organic Chemistry, 34 Chemical Sciences
Depositing User: Symplectic Admin
Date Deposited: 11 Sep 2019 07:32
Last Modified: 20 Jun 2024 18:11
DOI: 10.1039/C9ME00085B
Related URLs:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3054195