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.
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Rivail, JL., Rinaldi, D. (1981). Investigations on the Role of Electrostatic Intermolecular Forces in Liquids. Ground State Properties of Amides in Solution. In: Pullman, B. (eds) Intermolecular Forces. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 14. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-7658-1_22
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DOI: https://doi.org/10.1007/978-94-015-7658-1_22
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