RELATIVISTIC EFFECTS IN CHEMICAL SHIFTS 13C NMR OF HALCOHEN-CONTAINING COMPOUNDS
2020 ◽
Vol 2018
(1)
◽
pp. 42-43
Keyword(s):
13C Nmr
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A systematic study was made of the change in the magnitude of the error for nonrelativistic calculations of the chemical shifts of carbon in the 13C NMR spectra in a wide range of model chalcogenides, depending on the atomic number of the chalcogen, the hybridization of the carbon atom and its position in the molecule with respect to the chalcogen atom.
2020 ◽
Vol 100
(4)
◽
pp. 60-74