Table 1.
Reaction | ΔH1
|
ΔH‡
|
ΔH2
|
ΔHR
|
||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
HF | MP2/HF | MP4/HF | HF | MP2/HF | MP4/HF | HF | MP2/HF | MP4/HF | HF | MP2/HF | MP4/HF | |
1 | −11.5 | −11.5 | 11.8 | 15.5 | −25.3 | −14.5 | −25.0 | −10.6 | ||||
2 | −12.1 | −13.0 | 14.1 | 19.7 | −28.0 | −17.9 | −25.9 | −11.2 | ||||
3 | −19.5 | −20.8 | 19.7 | 23.2 | −27.9 | −14.6 | −27.7 | −12.1 | ||||
4 | −15.3 | −14.2 | −14.5 | 2.8 | 4.6 | 3.0 | −56.6 | −38.8 | −37.0 | −69.1 | −48.4 | −48.5 |
5 | −17.1 | −16.8 | −17.2 | 4.7 | 8.4 | 6.1 | −57.9 | −40.6 | −38.2 | −70.3 | −49.0 | −49.2 |
6 | −26.9 | −26.7 | −27.1 | 9.7 | 12.3 | 9.8 | −56.3 | −36.4 | −33.8 | −73.5 | −50.8 | −51.0 |
The energy designations are given in Fig. 3.