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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_TS233_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.638066124895; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS248_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.636064846167; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS400_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645659077285; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS402_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643940601009; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS378_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643991719337; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS384_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643945395550; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS409_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652690536421; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS390_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650089084420; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS394_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641995567190; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS399_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.634525435136; Eh | - | - |
Results 392261-392270 of 401714 (Search time: 0.257 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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