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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_initial_TS319_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722997825955; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS321_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723522153411; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS312_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724112035417; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS317_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723845204540; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS291_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719608640965; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS307_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717862598108; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS309_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724867623148; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS310_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723215199641; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS327_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723314221525; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS17 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726722056281; 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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