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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_initial_TS265_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600443741894; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS267_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601801097602; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS254_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600750522766; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS410_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601081571997; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS426_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.597828533489; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS451_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609073689788; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS420_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602770671551; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS421_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607366710814; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS432_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.593935615126; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS425_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606906435070; Eh | - | - |
Results 390691-390700 of 402296 (Search time: 0.208 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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