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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_TS166_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649396460874; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS168_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650571401917; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS169_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659323353897; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS173_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658298438722; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS177_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663118064494; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS176_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646769464578; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS305_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653213120331; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS336_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657118890222; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS310_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649005522353; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS313_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660497552128; 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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