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 |