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Calculation of σ[sub ∥] in CS2 and Its Relation to the 13C Chemical Shift Scale

✍ Scribed by Vladimiroff, T.


Book ID
119940165
Publisher
American Institute of Physics
Year
1972
Tongue
English
Weight
428 KB
Volume
57
Category
Article
ISSN
0021-9606

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## Abstract A series of model sulfides was oxidized in the NMR sample tube to sulfoxides and sulfones by the stepwise addition of __meta__‐chloroperbenzoic acid in deuterochloroform. Various methods of quantum chemical calculations have been tested to reproduce the observed ^1^H and ^13^C chemical