Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
| categories | enthalpy H (Hartree) | Gibbs free energy G (Hartree) | enthalpy change ΔH (kJ/mol) | activation energy ΔE (kJ/mol) | reaction rate k (cm3/mol/s) |
|---|---|---|---|---|---|
| reactant | –971.016297 | –971.104589 | –116.543 | 31.009 | 9.446 × 10–13 |
| transition state | –971.008443 | –971.092778 | |||
| product | –971.060686 | –971.15217 |
Note that 1 Hartree = 627.51 kcal/mol = 2625.5 kJ/mol.
