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posted on 2025-06-16, 04:06 authored by Jonathan Owens, Bojun Feng, Jie Liu, David Moore
Relaxed structures and energies

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    DOI - Is supplement to A combined statistical mechanical and <em>ab</em> <em>initio</em> approach to understanding H<sub>2</sub>O/CO<sub>2</sub> co-adsorption in mmen-Mg<sub>2</sub>(dobpdc)

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    Journal of Chemical Physics

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    Lattice modelMetal-organic frameworksAdsorptionDFTCarbon capture

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