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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_TS140 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650430119949; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS143 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650080786940; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS144 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649458098025; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS145 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656710323805; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS148 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661330789191; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS151 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649450674402; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS152 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650430148929; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS149 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656696853142; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS150 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669779411472; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS59_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664137303231; Eh | - | - |
Results 392281-392290 of 401714 (Search time: 0.234 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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