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2 optimized structures
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2 optimized structures.
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82
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78650599200
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Binding energy was obtained as the difference between the potential energy of the whole system and the sum of the potential energies of the isolated components in the same structure. Any contribution to the energy (van der Waals or electrostatics) was obtained in the same way
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Binding energy was obtained as the difference between the potential energy of the whole system and the sum of the potential energies of the isolated components in the same structure. Any contribution to the energy (van der Waals or electrostatics) was obtained in the same way.
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