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- W2029379600 abstract "Ab initio calculations on several representative complexes have been carried out to show the sensitivity of quadrupole coupling constants to hydrogen bond formation, and particularly the sensitivity to orientation in the complex. Spectroscopic structural determinations based on nuclear quadrupole coupling constants are examined for five representative systems. It appears that nuclear quadrupole coupling constants may give orientational angles accurately, but inaccuracy may amount to ≈ 15° in certain instances." @default.
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- W2029379600 date "1987-08-01" @default.
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- W2029379600 title "Sensitivity of monomer nuclear quadrupole coupling constants to hydrogen bond formation" @default.
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- W2029379600 doi "https://doi.org/10.1016/0301-0104(87)80057-5" @default.
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