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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_TS45_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602868137114; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS47_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602892704828; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS61_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599413640017; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS60_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604260564287; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS274_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.597680473059; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS270_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604845263543; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS273_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604847853725; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS280_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604710240602; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS277_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602897215950; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS281_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602083901749; 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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