The potential energy surface of the reaction C3H5SCH2X/C3H6CXCHZS was studied for the various X substitutions (XZCH3, H, Cl, F) at

the high level of the theory (G3MP2 method) using the 6-31G(d) basis set. It was demonstrated that CH3, H, Cl...

The potential energy surface of the reaction C3H5SCH2X/C3H6CXCHZS was studied for the various X substitutions (XZCH3, H, Cl, F) at the high level of the theory (G3MP2 method) using the 6-31G(d) basis set. It was demonstrated that CH3, H, Cl and F...

The potential energy surface of the reaction C3H5SCH2F C3H6 + FCH=S

was studied at the high level of the theory (G3MP2 method) using the 6-31G(d) basis set.

Barrier height is 148.63 kJ mol-1, because of the electronic effects...