Energy Units

Energy Units

A list of energy units supported by Aten

Table 10.6. Energy unit keywords

ValueDescriptionJoule Equivalent
jJoules per mole (J/mol)1.0
kjKiloJoules per mole (kJ/mol)1000.0
calCalories per mole (cal/mol)4.184
kcalKiloCalories per mole (kcal/mol)4184.0
evElectronvolts per mole (eV/mol)96485.14925
haHartrees per mole (Ha/mol)2625494.616