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• W1973203903 endingPage "348" @default.
• W1973203903 startingPage "340" @default.
• W1973203903 abstract "The anisotropies, Δ σ, of the 1H and 13C nuclear shielding tensors of chloroform were determined experimentally and theoretically. The liquid crystal NMR ENEMIX method gives ΔσC = −51.8 to −51.4 ppm in excellent agreement with ab initio GIAO SCF/MCSCF calculations resulting in −51 ppm, preferring the ENEMIX results for C to the ones based on spin-lattice relaxation. A theoretical model and further experiments imply that the deviation of the ENEMIX ΔσH value from the calculated 7 ppm is caused by hydrogen bonding between CHCl3 and the CN groups of the liquid crystal ZLI 1167, which is usually considered an inert solvent." @default.
• W1973203903 created "2016-06-24" @default.
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• W1973203903 date "1996-05-01" @default.
• W1973203903 modified "2023-09-24" @default.
• W1973203903 title "Anisotropy of the 1H and 13C shielding tensors in chloroform" @default.
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• W1973203903 doi "https://doi.org/10.1016/0009-2614(96)00188-1" @default.
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