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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_TS20_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643136822790; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS23_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643150604206; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS24_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664138594175; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS25_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660270781238; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS26_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664137372023; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS147_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653213693337; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS144_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660508279358; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS148_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662163022907; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS149_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661113237364; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS152_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660503375679; Eh | - | - |
Results 388821-388830 of 402241 (Search time: 0.22 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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