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- W2071728360 abstract "The charge flow model which was developed in the previous paper has been applied to the series of oxygen containing triatomics SO2, O3, CO2, and OCS. The error in the charge flow parameters (as determined from least squares fitting) are found to depend only slightly on the error in the measurement of the fundamental intensities, and most of the error comes from the uncertainty in the potential. Since the harmonic potentials are more well known than the higher order terms, the linear charge flow parameters are more certain. It is found that the linear charge flow parameters do correspond to chemical intuition but in an quantitative rather than qualitative manner. The results of Gussoni for carbon–hydrogen bonds in various hydrocarbons indicates that the hybridization of the bond is important in determining its characteristics . Our results for the series CO2, OCS, and SO2 indicate that hybridization is not as important as the electronegativity of the central atom and of the other atoms in the molecule in determining the charge flow parameters. Because of this sensitivity to other atoms, it is not believed that the charge flow parameters will be very transferable except for molecules that are very similar chemically. It is hoped that this chemical sensitivity will allow the charge flow model to be applied to problems of chemical interest." @default.
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- W2071728360 date "1985-09-15" @default.
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- W2071728360 title "A charge flow model for the high derivatives of the molecular dipole moment. II. Application to oxygen containing triatomics" @default.
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- W2071728360 doi "https://doi.org/10.1063/1.449269" @default.
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