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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_TS162 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603408399308; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS166 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609165339783; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS163 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604049736869; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS207 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609566540158; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS198 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603665709081; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS200 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602813664714; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS205 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607381629205; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS208 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604090840295; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS203 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608207459670; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS206 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605070579863; 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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