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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_TS141_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636075675979; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS140_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653976929267; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS139_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661267248310; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS133_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658572501732; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS134_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649476622031; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS135_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653031165155; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS136_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650923933077; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS143_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646249398787; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS138_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648148570621; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS306_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645760355595; Eh | - | - |
Results 390721-390730 of 402296 (Search time: 0.219 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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