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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_initial_TS341_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601261562950; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS312_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606229055436; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS308_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603282878380; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS49 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604456016703; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS52 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608350588512; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS54 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608671803044; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS50 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609155376776; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS57 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599857075681; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS59 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605395669788; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS61 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609306702050; 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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