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 |
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