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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2023 | 4_deprot_DHP-pos3_mecn_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DFT | - | -1367.05622747; Eh |
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- 161 Carbocations
- 161 Lewis acids
- 101 Amides
- 101 Dications
- 60 Cations
- 60 Ion affinities
- 60 pKa values
- 60 Pyridine functionalization