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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_TS454_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648012175663; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS460_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660441303882; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS461_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636860875951; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS462_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667223263734; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS463_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646924211567; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS464_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646120027526; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS467_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646337365217; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS106 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647278068995; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS101 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643941926492; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS89 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652980954454; Eh | - | - |
Results 390741-390750 of 402296 (Search time: 0.232 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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