NMR calculation for solids(crystals)
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8:30:29 PM PDT - Sat, Oct 8th 2016
Dear NWChem users
I usually use NWChem for NMR shielding tensors of organic molecules. Furthermore, I want to calculate NMR of inorganic solids (crystals) such as TiO2 with periodic boundary condition. Is such calculation possible with NWchem?