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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_TS9_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599975194029; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS1_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603158626291; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS197 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722516644938; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS198 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723421682533; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS199 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722559542097; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS170_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600493952624; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS158_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600790512757; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS167_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601028471571; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS169_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.594275488551; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS179_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604754841242; 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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