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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_TS128_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607791598145; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS129_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604263559291; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS101_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602460027801; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS103_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604201029092; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS117_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602956779562; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS118_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602063290577; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS87_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604512505128; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS91_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604935939454; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608770507552; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS11 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604214448854; 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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