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Bottom-up computational design of shape-selective organic macrocycles for humid CO2 capture.

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Title: Bottom-up computational design of shape-selective organic macrocycles for humid CO2 capture.
Authors: Liu T; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Qu H; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Harding SD; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Borne I; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Chen L; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Ward JW; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK., Weston SC; ExxonMobil Technology and Engineering Company, Annandale, USA., Cooper AI; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.
Source: Nature chemistry [Nat Chem] 2025 Nov; Vol. 17 (11), pp. 1696-1704. Date of Electronic Publication: 2025 Jul 22.
Publication Type: Journal Article
Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101499734 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1755-4349 (Electronic) Linking ISSN: 17554330 NLM ISO Abbreviation: Nat Chem Subsets: MEDLINE; PubMed not MEDLINE
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  Data: Bottom-up computational design of shape-selective organic macrocycles for humid CO<subscript>2</subscript> capture.
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  Data: <searchLink fieldCode="AU" term="%22Liu+T%22">Liu T</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Qu+H%22">Qu H</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Harding+SD%22">Harding SD</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Borne+I%22">Borne I</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Chen+L%22">Chen L</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Ward+JW%22">Ward JW</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK.<br /><searchLink fieldCode="AU" term="%22Weston+SC%22">Weston SC</searchLink>; ExxonMobil Technology and Engineering Company, Annandale, USA.<br /><searchLink fieldCode="AU" term="%22Cooper+AI%22">Cooper AI</searchLink>; Materials Innovation Factory, Department of Chemistry, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.
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  Data: <searchLink fieldCode="JN" term="%22101499734%22">Nature chemistry</searchLink> [Nat Chem] 2025 Nov; Vol. 17 (11), pp. 1696-1704. <i>Date of Electronic Publication: </i>2025 Jul 22.
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        Value: 10.1038/s41557-025-01873-1
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              Text: 2025 Nov
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