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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_TS10 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603863341823; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS4 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608635488370; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS5 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606192815904; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS9 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.610594963414; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS7 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608727562027; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS8 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609950957493; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS6 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601898840070; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS17 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608155691230; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS18 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609154851702; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS19 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608431867862; 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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