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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_TS155_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660192461126; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS161_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660077931978; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS158_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656808560208; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS159_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660392608321; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS290_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659326564557; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS279_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649974243606; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS282_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662439089298; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS302_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659339695567; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS304_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657368741306; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS287_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659826186817; 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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