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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_diffsub_second_TS86 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605830836649; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS87 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606309702571; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS89 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601565011147; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS88 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606999105350; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS176 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605338142444; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS177 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602196448402; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS167 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605761938996; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS168 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606038702552; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS169 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605643237141; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS170 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606136079885; 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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