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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_TS12 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729748090705; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS14 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730036932776; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS11 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726253133047; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS15 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728615168966; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS10 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730708130003; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS7 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729591808034; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS8 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727033860448; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS9 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728096898291; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS71 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722342978318; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS70 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726728978600; Eh | - | - |
Results 390641-390650 of 402296 (Search time: 0.202 seconds).
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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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