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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_TS140 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724992775714; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS141 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730241520238; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS145 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724286884919; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS142 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723210487915; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS137 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726804520737; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS138 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725116792367; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS15_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603210479675; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS26_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603538853040; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS16_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603055792094; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS22_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605099797679; 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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