490 citations
- Rutgers, The State University of New JerseyUS4 papers
- Universitat de ValènciaES4 papers
- The University of Texas at DallasUS3 papers
- Los Alamos National LaboratoryUS2 papers
- University of LeedsGB2 papers
- University of OxfordGB2 papers
- University of WashingtonUS2 papers
- Autonomous University of San Luis PotosíMX1 paper
- Biostatistical Consulting (United States)US1 paper
- Bowdoin CollegeUS1 paper
- California Institute of TechnologyUS1 paper
- Canadian Institute for Advanced ResearchCA1 paper
Showing 2013Show 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…