Abstract
Abstract Nitrogen screening constants are calculated by the sum-over-states method using INDO/S parameters and by the finite perturbation procedure employing INDO parameters. The solvaton model is employed to describe changes in nuclear screening as a function of the dielectric constant of the medium. The calculated variations of nitrogen screening are in reasonable agreement with the available experimental data. The effects on screening of hydrogen bonding are included in the sum-over-states calculations by means of dimer models.
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