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note
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The other bonded (bending) and intramolecular Lennard-Jones energies are very similar for coexisting vapor and liquid phases for longer n-alkanes, e.g., the bending energy for the vapor phase for n-octane at 400 K is 9.93 kJ/mol versus 9.92 kJ/mol for the liquid phase calculated using the TraPPE-EH force field, and the intramolecular Lennard-Jones energy for the vapor phase is -2.49 kJ/mol versus -2.45 kJ/mol for the liquid phase.
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