Table 1 AM1 calculated heats of formation and relative energies (kcal mol-1) for mechanism 2

Table 1. AM1 calculated heats of formation and relative energies (kcal mol^-1) for mechanism 2

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DHf Erel DHf Erel

1 -48.2 0.0 Int 4 -17.6 30.6

TS1 13.4 61.6 TS5 25.7 73.9

Int 1 -2.5 45.7 Int 5 -36.9 11.3

TS2 28.6 76.8 TS6 -28.7 19.5

Int 2 3.4 51.6 Int 6 -36.9 11.3

TS3 17.1 65.3 TS7 35.4 83.6

Int 3 -17.5 30.7 Int 7 1.0 47.2

TS4 -14.6 33.6 TS8 4.2 52.4

2 -61.2 -13.0

	DHf	Erel		DHf	Erel
1	-48.2	0.0	Int 4	-17.6	30.6
TS1	13.4	61.6	TS5	25.7	73.9
Int 1	-2.5	45.7	Int 5	-36.9	11.3
TS2	28.6	76.8	TS6	-28.7	19.5
Int 2	3.4	51.6	Int 6	-36.9	11.3
TS3	17.1	65.3	TS7	35.4	83.6
Int 3	-17.5	30.7	Int 7	1.0	47.2
TS4	-14.6	33.6	TS8	4.2	52.4
			2	-61.2	-13.0

Table 1. AM1 calculated heats of formation and relative energies (kcal mol-1) for mechanism 2

Table 1. AM1 calculated heats of formation and relative energies (kcal mol^-1) for mechanism 2