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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_diffsub_second_TS83 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604223742073; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS84 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601681108278; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS190 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604351348118; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS189 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602740301223; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS192 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606038083622; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS195 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603099558971; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS196 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603478366537; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS188 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608377330567; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS187 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605392785905; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS191 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605636029725; 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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