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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_R_initial_TS294_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659267615541; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS280_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656854958515; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS300_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650420912729; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS485_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664044544883; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS480_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656538007306; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS483_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664132828533; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS487_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659299544617; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS490_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643246266351; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS492_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658418454139; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS493_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664132882554; Eh | - | - |
Results 388841-388850 of 402241 (Search time: 0.206 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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