Abstract
The quantum-chemical SCF LCAO-MO calculations have been carried out in the MNDO/H approximation for the dimethylsulfoxide (DMSO) molecule, its anion [CH 3 CH 2 SO]−, and DMSO adducts with HCL, OH−, and H2O. Bond lengths, interbond angles, effective charges on atoms, bond orders, ionization potentials, formation enthalpies, and dipole moments have been calculated. The comparative analysis of quantum-chemical and structural data of the compounds has been carried out.
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