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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_TS30 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729866526285; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS29 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.732300194948; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS28 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.731744870201; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS33 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727023207259; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS31 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729867993215; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS32 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724605929362; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS26 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723766516092; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS96 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724420898549; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS99 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719818167241; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS91 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724341491192; 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
- 3145 Homogeneous catalysis
- 3047 boron
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