NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations

Authors :: Wijs, G.A. de
Laskowski, R.
Blaha, P.
Havenith, R.W.A
Kresse, G.
Marsman, M.
Wijs, G.A. de
Laskowski, R.
Blaha, P.
Havenith, R.W.A
Kresse, G.
Marsman, M.
Source :: Journal of Chemical Physics; 1; 12; 0021-9606; 6; 146; 064115; ~Journal of Chemical Physics~1~12~~~0021-9606~6~146~~064115
Publication Year :: 2017
Abstract: Contains fulltext : 169076.pdf (preprint version ) (Open Access)

Database :: OAIster
Journal :: Journal of Chemical Physics; 1; 12; 0021-9606; 6; 146; 064115; ~Journal of Chemical Physics~1~12~~~0021-9606~6~146~~064115
Publication Type :: Electronic Resource
Accession number :: edsoai.on1284109435
Document Type :: Electronic Resource

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