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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_second_TS177 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720151568593; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS179 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730752900493; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS181 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722059730893; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS178 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727685607872; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS184 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728998703554; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS185 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729933319892; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS182 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725223398086; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS183 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729538333185; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS176 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721602269451; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS122_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602459120994; 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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