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- W2079584182 abstract "Abstract 3JHCOH, which depends on solvent dielectric constant (ϵ), has been calculated by the INDO MO finite perturbation method incorporated with “Solvaton Theory”. The calculation results agree with the experimental finding that 3JHCOH decreases with increase of ϵ. The respective contributions of conformational change and dielectric constant variation to the effect of solvent on experimental values of 3JHCOH are discussed separately because 3JHCOH, the vicinal coupling constant, is known to be sensitive to conformational change. It is concluded that ϵ contributes more to the change of the experimental value of 3JHCOH by solvents." @default.
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- W2079584182 date "1981-12-01" @default.
- W2079584182 modified "2023-09-27" @default.
- W2079584182 title "Effect of solvent on the methanol 3JHCOH value" @default.
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- W2079584182 doi "https://doi.org/10.1016/0166-1280(81)85068-3" @default.
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