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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_TS95 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728108427019; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS90 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725354789301; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS93 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724665920491; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS92 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727971190747; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS98 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720649452520; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS94 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722735830763; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS163 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725148309680; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS162 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723834063031; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS160 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725440559297; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS156 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721994110978; 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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