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Combined Nuclear Magnetic Resonance and Molecular Dynamics Study of Methane Adsorption in M2(dobdc) Metal–Organic Frameworks
We examine the diffusion of methane in the metal–organic frameworks M2(dobdc) (M = Mg, Ni, Zn; dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate) as a function of methane loading through a combination of nuclear magnetic resonance and molecular dynamics simulations. At low gas densities, our results su
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