Solvants | EProducts (Hartree) | EReactants (Hartree) | ETS (Hartree) | Ea (kcal/mol) |
Acetonitrile | −1572.081 | −1572.080 | −1572.076 | 2.636 |
DMSO | −1572.081 | −1572.081 | −1572.076 | 2.636 |
Méthanol | −1572.081 | −1572.080 | −1572.076 | 2.573 |
Nitro-methane | −1572.081 | −1572.081 | −1572.076 | 2.636 |
Diethyléthere | −1572.073 | −1572.073 | −1572.069 | 2.510 |
THF | −1572.077 | −1572.077 | −1572.072 | 2.573 |