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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_TS97_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649430365573; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS260_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659225062331; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS265_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659529540819; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS268_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667249422548; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS264_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662820629766; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS254_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656694797721; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS255_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657932581720; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS266_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636829062571; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS257_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655157204967; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS252_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640523520564; Eh | - | - |
Results 390071-390080 of 402373 (Search time: 0.243 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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