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Thermodynamic and kinetic descriptors in the explicitly assisted diglycine formation with cyclohexane 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 | -6.22 | -2.97 | 44.20 | 85.68 |
| B | - | -4.91 | - | 71.86 |
