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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_anion_initial_TS267_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723125839886; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS247_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722004589833; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS256_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719107632659; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS257_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722849546796; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS264_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.715280295662; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS259_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721846552780; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS260_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724162996131; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS265_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725456482174; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS248_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720633300544; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS482_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720870302326; Eh | - | - |
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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