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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_TS19 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725770652343; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS21 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729782411365; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS23 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724378908137; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS20 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725617808625; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS18 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726868418896; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS22 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726969557433; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS24 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.732298387648; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS16 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730238769119; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS81 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724030934956; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS85 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729726268419; 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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