The self-consistent reaction field scheme for taking into account solvent effects was implemented in the density functional deMon program. Both the electrostatic and the dispersion contributions of solute᎐solvent interactions were included in the developed procedure. Test calculations were performed with systems in which the dipole moments Ž . assume zero values trans rotamers . Results for the geometrical structure and conformational equilibrium of 1,2-dichloroethane and glyoxal systems in different media are in agreement with available experimental data and previous theoretical studies.
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