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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_diffsub_initial_TS441_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600501323478; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS408_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608537390952; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS154 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603472044675; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS155 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604276231327; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS147 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602204123818; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS151 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604095862225; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS148 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607103616193; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS153 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604686371514; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS149 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606048484242; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS144 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604845341979; 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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