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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_diffsub_second_TS67 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.610255718673; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS68 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603281244537; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS69 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606814548770; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS77 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607044674431; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS74 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599778752505; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS76 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602239667042; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS81 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605921711314; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS78 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606118524448; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS79 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603240981794; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS80 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605486305569; Eh | - | - |
Results 391331-391340 of 402241 (Search time: 0.197 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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