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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_TS234_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663287076570; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS242_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657488011930; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS244_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658913305633; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS447_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643291380018; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS449_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657044414518; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS454_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646109463742; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS459_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.639706458303; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS446_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653284864187; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS434_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651121865798; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS438_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643135975066; Eh | - | - |
Results 391421-391430 of 402241 (Search time: 0.199 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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