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- W2088817003 abstract "The 13 C chemical shifts of acetonitrile and acetone, as calculated by Pople's GIAO-MO theory and application of Klopman's “solvaton” model to the MINDO/2-MO method, agree well with the observed solvent effects, including the temperature dependence of the chemical shift." @default.
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- W2088817003 date "1976-03-01" @default.
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- W2088817003 title "Solvent effect study of the13C chemical shifts of acetonitrile and acetone using the “Solvaton” model" @default.
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- W2088817003 doi "https://doi.org/10.1016/0022-2364(76)90046-9" @default.
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