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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_TS53_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653426512446; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS57_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657298927059; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS170_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652988644108; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS171_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651598580223; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS173_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651606835558; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS175_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644580945647; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS186_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657299327311; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS182_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655280712568; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS187_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652994085589; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS191_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648461092649; Eh | - | - |
Results 389421-389430 of 402284 (Search time: 0.197 seconds).
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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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