REACTANTS

PRODUCTS

(kcal)

(kcal/mol)

(cal/K・mol.)

(kcal/mol)

1a + R2

2a

−19.135

−19.709

−39.870

−7.822

2a + R2

3a

−36.688

−37.838

−80.466

−13.847

1b+ R2

2b

−19.356

−19.925

−40.022

−7.992

2b +R2

3b

−36.986

−38.135

−80.370

−14.173