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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_TS172 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603949997328; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS174 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606308507379; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS175 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602008540706; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS39_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646455186034; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS63_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657333283181; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS40_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662933922045; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS45_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660943712090; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS50_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660942256156; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS60_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.666265868718; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS42_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662934330558; 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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