how to calculate the ionisation energy of atoms in kjmol -1
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Explanation:
Input Value(s):
Subtraction Method
Koopmans' Method
Energy value for Ion in Hartrees
Energy value for Neutral Atom in Hartrees
HOMO Value
Literature Ionization Energy Value (kJ/mol)
Ionization Energy in:
Units Subtraction Method Koopmans' Method
Hartrees
Electron Volts (eV)
kiloJoules per Mole (kJ/mol)
Percent Errors:
Subtraction Method
Koopmans' Method
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