Computational results for the publication "Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting"

Nikita Hanikel; Xiaokun Pei; Saumil Chheda; Hao Lyu; WooSeok Jeong; Joachim Sauer; Laura Gagliardi; Omar M Yaghi

doi:10.5281/zenodo.5294976

Computational results for the publication "Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting"

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Abstract

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This upload contains the computationally obtained atomic coordinates for MOF-303 and MOF-333 at different water loadings.

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