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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_TS151 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729684915359; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS150 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729281434791; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS146 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727618352577; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS147 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721211590076; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS148 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723439964150; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS149 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724505860400; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS32_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605124823225; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS31_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602602370170; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS30_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599790973526; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS34_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601279376523; 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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