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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_TS169 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726522118430; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS166 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727663144680; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS171 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722237673681; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS173 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724401131062; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS174 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720794473022; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS175 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725758062145; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS172 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724858644411; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS170 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717514053580; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS64_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604149434897; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS70_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604440704523; 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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