From low-res measurements to high-res insights: Revolutionizing COF structural determination

Abstract

In their recent work published in the Journal of the American Chemical Society, Zhang et al. introduce a novel approach combining electron diffraction data with computational optimization to derive high-resolution atomic structures of covalent organic frameworks (COFs). This breakthrough demonstrates the transformative potential of integrating computational and statistical tools with experimental datasets, paving the way for innovative COF design and discovery.