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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_TS200_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723659951206; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS199_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725956566463; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS364_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720649823334; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS349_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725117380455; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS345_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725451034490; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS351_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728317447940; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS353_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724929915884; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS356_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719710464023; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS358_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724933255012; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS362_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723163686066; 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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