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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_S_initial_TS199_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652986495114; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS221_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640974613632; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS226_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659481482035; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS201_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661275120870; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS208_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657516876146; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS205_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672682528035; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS214_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.634397977792; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS198_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672683032919; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS362_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647346066928; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS365_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650077317525; 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
- 3145 Homogeneous catalysis
- 3047 boron
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