Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents

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Authors: Changchun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society (ACS)

Published year: 2024

DOI identifier: 10.1021/ACS.JCTC.3C01302

ISSN: 1549-9618