490 citations
- Rutgers, The State University of New JerseyUS3 papers
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- University of WashingtonUS2 papers
- Autonomous University of San Luis PotosíMX1 paper
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Showing 2013 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2013★ 42 cited
NMR study of small molecule adsorption in MOF-74-Mg
M. G. Lopez, Pieremanuele Canepa, T. Thonhauser
We calculate the carbon nuclear magnetic resonance (NMR) shielding for CO_2 and the hydrogen shieldings for both H_2 and H_2O inside the metal organic framework MOF-74-Mg. Our ab i…
cond-mat.mtrl-sci2013★ 72 cited
When metal organic frameworks turn into linear magnets
Pieremanuele Canepa, Yves J. Chabal, T. Thonhauser
We investigate the existence of linear magnetism in the metal organic framework materials MOF-74-Fe, MOF-74-Co, and MOF-74-Ni, using first-principles density functional theory. MOF…