| f+ = (q+1)-q |
f-=q-(q-1) |
Δf=(f+)-(f-) |
ΔS =Δfσgs |
Δω=Δfωgei |
| -0.0990 |
5.5674 |
-5.6665 |
-64.971 |
-0.3539 |
| 0.10410 |
-1.0720 |
1.1761 |
13.4852 |
0.0734 |
| -0.0989 |
5.57436 |
-5.6732 |
-65.049 |
-0.3544 |
| -0.0488 |
-3.9275 |
3.8786 |
44.472 |
0.2422 |
| -0.1308 |
0.4939 |
-0.6248 |
-7.1641 |
-0.0390 |
| -0.0487 |
-3.9281 |
3.8793 |
44.480 |
0.2423 |
| -0.0636 |
-3.1527 |
3.0890 |
35.419 |
0.1929 |
| 0.03984 |
-0.0434 |
0.0832 |
0.9542 |
0.0051 |
| -1.1396 |
-0.7127 |
-0.4268 |
-4.8945 |
-0.0266 |
ΔS = local softness, σgs- global softeness; -Δω local electophilic index, ωgei- global
electrophilic index
|
