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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_initial_TS271_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723233643500; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS275_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726192537656; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS276_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717953394158; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS282_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726075776657; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS285_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722788021043; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS288_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717546613631; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS289_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724596896468; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS268_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722607865836; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS273_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722090555357; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS13 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729786602713; 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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