Compounds |
Δ H for H (R=H) |
Δ H for H+ (R=H) |
Δ H for X |
Δ H for X+ |
R.S.E
(X+ - H+ ) |
Original compound |
-18.859 |
169.392 |
--- |
--- |
--- |
1 |
-18.859 |
169.392 |
-56.988 |
124.932 |
-6.331 |
2 |
-18.859 |
169.392 |
-28.285 |
157.171 |
-2.795 |
3 |
-18.859 |
169.392 |
-18.856 |
169.419 |
0.024 |
4 |
-18.859 |
169.392 |
-62.571 |
128.473 |
2.793 |
5 |
-18.859 |
169.392 |
10.107 |
-62.286 |
-260.644 |
Compounds |
Δ H for H (R=CH3) |
Δ H for H+ (R=CH3) |
Δ H for X |
Δ H for X+ |
R.S.E (X+ - H+ ) |
6 |
-23.951 |
157.373 |
-62.034 |
113.517 |
-5.773 |
7 |
-23.951 |
157.373 |
-33.367 |
145.514 |
-2.443 |
8 |
-23.951 |
157.373 |
-23.952 |
157.374 |
0.002 |
9 |
-23.951 |
157.373 |
-67.688 |
116.475 |
2.839 |
10 |
-23.951 |
157.373 |
5.102 |
-70.921 |
-257.347 |
|
