S. Okovytyy
308
ȿ
N-PRO
ȿ
N-PRO
∆
∆
Fig. 10.9 Geometrical arrangements of the transition states for interaction of oxiranes (1, 24, 25)
with methyl thiolate with explicit consideration of water molecule and corresponding values of
activation barriers calculated at COSMO/BLYP/TZV + P level of theory COSMO/BLYP/TZV + P
[47]
308
ȿ
N-PRO
ȿ
N-PRO
∆
∆
Fig. 10.9 Geometrical arrangements of the transition states for interaction of oxiranes (1, 24, 25)
with methyl thiolate with explicit consideration of water molecule and corresponding values of
activation barriers calculated at COSMO/BLYP/TZV + P level of theory COSMO/BLYP/TZV + P
[47]