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- W984968498 abstract "The electrostatic interaction of a solute with a great number non polar solvent molecules is investigated with the help of a model in which the solvent is replaced by a continuum of low dielectric constant, which permits detailed quantum chemical calculations. Ground state properties of formamide, acetamide and their N mono and dimethylated derivatives are computed using the MINDO/3 method, especially equilibrium geometries, rotational isomerism, C=0 and NH stretching force constants and dipole moment derivatives, electronic population, 14N and 17O nuclear quadrupole couplings.KeywordsDipole MomentFree MoleculeGround State PropertyStretch Force ConstantNuclear Quadrupole Coupling ConstantThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves." @default.
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- W984968498 date "1981-01-01" @default.
- W984968498 modified "2023-09-27" @default.
- W984968498 title "Investigations on the Role of Electrostatic Intermolecular Forces in Liquids. Ground State Properties of Amides in Solution" @default.
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- W984968498 doi "https://doi.org/10.1007/978-94-015-7658-1_22" @default.
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