An improved scheme for the calculation of NMR chemical shifts in periodic systems based on gauge including atomic orbitals and density functional theory

Author: Skachkov Dmitry   Krykunov Mykhaylo   Ziegler Tom  

Publisher: NRC Research Press

ISSN: 1480-3291

Source: Canadian Journal of Chemistry, Vol.89, Iss.9, 2011-09, pp. : 1150-1161

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