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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_TS13 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.610129302084; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS22 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608710851579; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS23 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608526627084; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS14 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606278738662; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS16 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603234585394; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS24 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603307787469; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS102 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606377586689; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS101 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601380526467; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS105 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608418164417; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS107 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605834923223; 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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