A partial differential equation for pseudocontact shift
2014 ◽
Vol 16
(37)
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pp. 20184-20189
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Keyword(s):
It is demonstrated that pseudocontact shift (PCS), viewed as a scalar or a tensor field in three dimensions, obeys an elliptic partial differential equation with a source term that depends on the Hessian of the unpaired electron probability density.
1982 ◽
Vol 7
(5)
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pp. 609-643
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2019 ◽
Vol 98
◽
pp. 121-127
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2020 ◽
Vol 36
(5)
◽
pp. 1028-1043
2013 ◽
Vol 24
(5)
◽
pp. 631-656
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