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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_TS341_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723595113247; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS342_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722086384910; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS339_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720877786081; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS330_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724399189086; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS331_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724661011355; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS334_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722819615895; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS335_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720307877066; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS344_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724189880813; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS25 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729746525346; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS27 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725519049808; 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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