Computational modelling workflows for metal-organic polyhedra in The World Avatar.
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| Title: | Computational modelling workflows for metal-organic polyhedra in The World Avatar. |
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| Authors: | Butler PWV; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk., Subramanian A; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore., Rihm SD; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CMPG, GRIPS - Grunderinnenzentrum Pirmasens, Delaware Avenue 1-3, 66953, Pirmasens, Germany., Fischer AF; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological, University, 62 Nanyang Drive, 637459, Singapore., Choksi TS; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological, University, 62 Nanyang Drive, 637459, Singapore., Kondinski A; Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremayrgasse 9, Graz, 8010, Austria., Mosbach S; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore., Akroyd J; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore., Kraft M; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; MIT, Chemical Engineering, 77 Massachusetts Avenue, Room E17-504, Cambridge, MA, 02139, USA. |
| Source: | Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2026 Jun 23; Vol. 28 (24), pp. 14828-14838. Date of Electronic Publication: 2026 Jun 23. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42300152 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Computational modelling workflows for metal-organic polyhedra in The World Avatar. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Butler+PWV%22">Butler PWV</searchLink>; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.<br /><searchLink fieldCode="AU" term="%22Subramanian+A%22">Subramanian A</searchLink>; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.<br /><searchLink fieldCode="AU" term="%22Rihm+SD%22">Rihm SD</searchLink>; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CMPG, GRIPS - Grunderinnenzentrum Pirmasens, Delaware Avenue 1-3, 66953, Pirmasens, Germany.<br /><searchLink fieldCode="AU" term="%22Fischer+AF%22">Fischer AF</searchLink>; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological, University, 62 Nanyang Drive, 637459, Singapore.<br /><searchLink fieldCode="AU" term="%22Choksi+TS%22">Choksi TS</searchLink>; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological, University, 62 Nanyang Drive, 637459, Singapore.<br /><searchLink fieldCode="AU" term="%22Kondinski+A%22">Kondinski A</searchLink>; Institute of Physical and Theoretical Chemistry, Graz University of Technology, Stremayrgasse 9, Graz, 8010, Austria.<br /><searchLink fieldCode="AU" term="%22Mosbach+S%22">Mosbach S</searchLink>; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.<br /><searchLink fieldCode="AU" term="%22Akroyd+J%22">Akroyd J</searchLink>; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.<br /><searchLink fieldCode="AU" term="%22Kraft+M%22">Kraft M</searchLink>; Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK. mk306@cam.ac.uk.; CARES, Cambridge Centre for Advanced Research and Education in Singapore, 1 Create, Way, CREATE Tower, #05-05, 138602, Singapore.; MIT, Chemical Engineering, 77 Massachusetts Avenue, Room E17-504, Cambridge, MA, 02139, USA. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2026 Jun 23; Vol. 28 (24), pp. 14828-14838. <i>Date of Electronic Publication: </i>2026 Jun 23. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1039/d5cp04871k Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 14828 Titles: – TitleFull: Computational modelling workflows for metal-organic polyhedra in The World Avatar. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Butler PWV – PersonEntity: Name: NameFull: Subramanian A – PersonEntity: Name: NameFull: Rihm SD – PersonEntity: Name: NameFull: Fischer AF – PersonEntity: Name: NameFull: Choksi TS – PersonEntity: Name: NameFull: Kondinski A – PersonEntity: Name: NameFull: Mosbach S – PersonEntity: Name: NameFull: Akroyd J – PersonEntity: Name: NameFull: Kraft M IsPartOfRelationships: – BibEntity: Dates: – D: 23 M: 06 Text: 2026 Jun 23 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1463-9084 Numbering: – Type: volume Value: 28 – Type: issue Value: 24 Titles: – TitleFull: Physical chemistry chemical physics : PCCP Type: main |
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