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Gibbs free and relative energies of seven ZW dimers with their Boltzmann population.
| Dimer | Gibbs free energy G(Hartree) | Relative Energy ΔG (kcal/mol) |
Population (%) |
|---|---|---|---|
| D1 | -717.601533 | 0 | 35.56 |
| D2 | -717.600996 | 0.337 | 20.20 |
| D3 | -717.600917 | 0.387 | 18.59 |
| D4 | -717.600594 | 0.589 | 13.23 |
| D5 | -717.600318 | 0.762 | 9.89 |
| D6 | -717.598533 | 1.883 | 1.51 |
| D7 | -717.598126 | 2.138 | 0.98 |
