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20102018
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 468 across the 4 of their papers we have counts for

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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…