Abstract
The authors present the results of quantum calculations of dipole moments in bonds in several molecules. The semiempirical MINDO/3 method was used for the calculation of the quantities appearing in the row matrix of the charges localized on the atoms of the molecule. The authors define the dipole moment of a bond in a molecule. Dipole moments of bonds in saturated and aromatic hydrocarbons and also in propellanes are shown. Calculations were carried out for molecules of ethane, propane, butane, hexane, benzene, toluene, ethylbenzene, ethylene, butadiene, hexatriene, cyclopropane, and three different propellanes.
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