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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_TS188_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662170383239; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS192_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660414139344; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS189_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660393354565; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS346_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661427274254; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS358_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650405660952; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS346_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661426771283; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS352_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656436367230; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS357_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656779449348; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS350_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669660356485; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS354_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660347050438; 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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