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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_TS101_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650958401277; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS102_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653351630748; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS103_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650958906319; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS111_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661266423798; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS105_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650236487203; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS108_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657781116577; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS112_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658260592372; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS109_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655306429993; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS100_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660942824363; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS197_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659494432826; Eh | - | - |
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- 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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