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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_TS101 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722414075730; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS102 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728775885511; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS104 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719268789418; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS105 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718906386950; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS107 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725936831194; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS108 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721059055264; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS109 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729270814993; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS103 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729201887616; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS106 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725833666039; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS168 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725361521982; 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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