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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_TS42_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728900474489; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS9_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724288514813; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS15_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730159367333; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS205_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719862121677; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS203_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726318179798; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS193_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723324528832; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS188_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721946794355; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS190_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726116504712; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS191_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722129883475; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS184_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723532988029; 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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