Torsional vibrations of two thiol groups in the HSOSH, DSOSH, and DSOSD molecules: 2D PES study in CBS limit
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DOI: 10.1016/j.vibspec.2021.103208
Abstract: Abstract 2D surfaces of potential energy, dipole moment, and kinetic coefficients associated with internal rotation of the thiol groups in the HSOSH molecule were calculated and analyzed at MP2/CBS level of theory. Two stable conformers… read more here.
Keywords: hsosh dsosh; thiol groups; torsional vibrations; dsosh dsosd ... See more keywords