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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_TS89 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726223132755; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS82 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726572891846; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS84 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722745199782; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS83 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730037980973; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS87 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720153717420; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS88 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722755194544; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS86 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719362519417; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS153 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722868724500; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS154 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729353891886; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS155 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724180123931; 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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