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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_second_TS83 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641316968598; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS85 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643538523920; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS70 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636879534886; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS71 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641568442248; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS74 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.642007394030; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS77 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647318914418; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS0_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667358503231; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS186 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647800143548; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS187 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649762908757; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS188 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636875476588; Eh | - | - |
Results 391391-391400 of 402241 (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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