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Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’"

Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’"
Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’"
Computer-generated crystal structures and catenation data for [4[2+3]+6]cage. Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’" to be published in Nature Synthesis https://doi.org/10.1038/s44160-024-00531-7
crystal structure prediction, density functional theory
University of Southampton
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636

Hafizi, Roohollah and Day, Graeme (2024) Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’". University of Southampton doi:10.5258/SOTON/D2929 [Dataset]

Record type: Dataset

Abstract

Computer-generated crystal structures and catenation data for [4[2+3]+6]cage. Supporting data for the journal article "Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’" to be published in Nature Synthesis https://doi.org/10.1038/s44160-024-00531-7

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data.csv - Dataset
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More information

Published date: 10 April 2024
Keywords: crystal structure prediction, density functional theory

Identifiers

Local EPrints ID: 488958
URI: http://eprints.soton.ac.uk/id/eprint/488958
DOI: doi:10.5258/SOTON/D2929
PURE UUID: 2e485c5d-7321-4c42-9bbd-0212747cc574
ORCID for Roohollah Hafizi: ORCID iD orcid.org/0000-0001-6513-4446
ORCID for Graeme Day: ORCID iD orcid.org/0000-0001-8396-2771

Catalogue record

Date deposited: 09 Apr 2024 17:23
Last modified: 11 Apr 2024 01:56

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Contributors

Creator: Roohollah Hafizi ORCID iD
Creator: Graeme Day ORCID iD

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