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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_TS158_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721548538288; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS170_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721356760302; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS177_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721212999473; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS181_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717576552210; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS183_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720341154391; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS165_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725467174218; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS162_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727056998389; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS168_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722429825321; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS167_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722447676300; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS329_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728890512970; 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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