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- W1992132058 abstract "Ab initio results for the shielding constants in acetonitrile were calculated for the isolated molecule, the antiparallel dimer and the antiparallel trimer. It was found that the association effects calculated at the SCF approximation could be successfully compared with experimental NMR gas-to-liquid shifts. Calculated anisotropies of 13C and 15N shielding constants for the cyano group are also consistent with the latest experimental results." @default.
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- W1992132058 date "1992-06-01" @default.
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- W1992132058 title "Effects of molecular association on the NMR shielding constants in acetonitrile" @default.
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- W1992132058 doi "https://doi.org/10.1016/0009-2614(92)85528-i" @default.
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