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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_second_TS73 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729212749823; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS74 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719816498517; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS76 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725966584979; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS78 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723866388581; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS79 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726692114328; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS80 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719833538727; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS75 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717143604949; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS143 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718034283373; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS144 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719675753839; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS139 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725550109013; 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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