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Computationally directed manipulation of cross-linked covalent organic frameworks for membrane applications

Alathea Davies,Michael J. Wenzel,Cailin L. Brugger, Jeff S. Johnson,B. A. Parkinson,John O. Hoberg,Laura de Sousa Oliveira

Physical Chemistry Chemical Physics（2023）

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Abstract
A quinoxaline-based covalent organic framework (COF) was synthetically cross-linked and investigated for membrane applications. Ab initio calculations were conducted to investigate the stability of cross-linked COFs.
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Key words
organic frameworks,membrane,covalent,cross-linked
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