fermi contact shift
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Optimizing the U value for DFT+U calculation of paramagnetic solid-state NMR shifts by double Fermi-contact-shift verification

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136779 ◽

2019 ◽

Vol 736 ◽

pp. 136779

Author(s):

Yufeng Liu ◽

Lecheng Zeng ◽

Chenchun Xu ◽

Fushan Geng ◽

Ming Shen ◽

...

Keyword(s):

Solid State ◽

Solid State Nmr ◽

Contact Shift ◽

Fermi Contact Shift ◽

Fermi Contact ◽

U Value