Calculation of chemical-shift tensors of heavy nuclei: a DFT/ZORA investigation of 199Hg chemical-shift tensors in solids, and the effects of cluster size and electronic-state approximations
2014 ◽
Vol 16
(27)
◽
pp. 14298-14308
◽
Keyword(s):
A ZORA/DFT investigation of the NMR chemical shielding of a suite of 199Hg-containing solid materials shows the importance of calculations with the molecular-cluster method.
2015 ◽
Vol 17
(38)
◽
pp. 25014-25026
◽
1999 ◽
Vol 37
(4)
◽
pp. 303-311
◽
Keyword(s):
2003 ◽
Vol 68
(12)
◽
pp. 2292-2296
◽
Keyword(s):
2002 ◽
Vol 124
(7)
◽
pp. 1541-1552
◽
2006 ◽
Vol 128
(35)
◽
pp. 11443-11454
◽
Keyword(s):