Table 3

Table 3. AM1 calculated heats of formation and relative energies (kcal mol^-1) for mechanism 4

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compound	D H_f	E_rel	compound	D H_f	E_rel
1 + H₂O	-107.4	0.0	TS4	-99.6	7.8
TS1	-84.6	22.8	Int4	-102.4	5.0
Int1	-144.2	-36.8	TS5	-101.5	5.9
TS2	-92.5	14.9	Int5	-130.0	-22.6
Int2	-136.2	-28.8	TS6	-75.2	32.2
TS3	-116.5	-9.1	2 + H₂O	-120.4	-13.0
Int3	-144.1	-36.7

Table 3. AM1 calculated heats of formation and relative energies (kcal mol-1) for mechanism 4

Table 3. AM1 calculated heats of formation and relative energies (kcal mol^-1) for mechanism 4