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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_TS77_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606377573366; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS73_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602286134217; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS76_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603346574075; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS79_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604323632778; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS66_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605893498849; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS83_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605229649593; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS82_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603060173982; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS353_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603339241245; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS354_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601595944835; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS363_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602894626087; 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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