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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_TS195_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672684328327; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS348_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.633540596333; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS351_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647350216374; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS355_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645877361003; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS358_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646995648962; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS350_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647280068930; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS345_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656109604730; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS346_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672689910667; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS347_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650075442372; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS354_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659189746566; Eh | - | - |
Results 389431-389440 of 402284 (Search time: 0.199 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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