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Rationalising the difference in crystallisability of two sulflowers using efficient in silico methods

Sugden, Isaac J; Francia, Nicholas F; Jensen, Torsten; Adjiman, Claire S; Salvalaglio, Matteo; (2022) Rationalising the difference in crystallisability of two sulflowers using efficient in silico methods. CrystEngComm 10.1039/D2CE00942K. Green open access

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Abstract

The molecular structures of the first and second generation sulflowers, sulflower and persulfurated coronene (PSC), are remarkably similar: carbon ring structures decorated with sulfur atoms, without any additional moiety.

Type: Article
Title: Rationalising the difference in crystallisability of two sulflowers using efficient in silico methods
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/D2CE00942K
Publisher version: https://doi.org/10.1039/D2CE00942K
Language: English
Additional information: This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. See: https://creativecommons.org/licenses/by-nc/3.0/
UCL classification: UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL
URI: https://discovery.ucl.ac.uk/id/eprint/10156535
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