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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | Mannich_R_initial_TS276_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656797036816; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS262_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651080601185; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS277_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659630613885; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS462_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654665351873; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS462_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654665784061; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS462_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654665918872; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS465_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664339867584; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS474_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664327669456; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS479_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654108443254; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS460_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643125343890; 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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