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Miguel Gonzalez

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Related publications (4)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Structural characterization of framework-gas interactions in the metal-organic framework Co-2(dobdc) by in situ single-crystal X-ray diffraction

Wendy Lee Queen, Miguel Gonzalez

The crystallographic characterization of framework-guest interactions in metal-organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with ...

2017

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks

Berend Smit, Rocio Mercado, Yongjin Lee, Miguel Gonzalez

We present accurate force fields developed from density functional theory (DFT) calculations with periodic boundary conditions for use in molecular simulations involving M-2(dobdc) (M-MOF-74; dobdc(4-) = 2,5-dioxidobenzenedicarboxylate; M = Mg, Mn, Fe, Co, ...

American Chemical Society2016

Hydrogen Storage in the Expanded Pore Metal-Organic Frameworks M-2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)

Wendy Lee Queen, Miguel Gonzalez

The hydrogen storage properties of a new family of isostructural metal organic frameworks are reported. The frameworks M-2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobpdc(4-) = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are analogous to the widely studied M-2(do ...

Amer Chemical Soc2016