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Thermodynamic and kinetic descriptors in the explicitly assisted diglycine formation with water molecule using B3LYP/6–311++G (2d,2p) in (kcal mol−1): (A) without dispersion effects, (B) D3 version of Grimme dispersion with the original D3 damping function included.
| Method | ΔH₀ | ΔG₀ | Ea | ΔG# |
|---|---|---|---|---|
| A | -12.83 | -8.01 | 15.68 | 41.28 |
| B | -15.96 | 32.19 |
