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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_TS104 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608773185238; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS103 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605324858530; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS96 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605224864959; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS98 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608207469962; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS97 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604006935125; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS178 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603428409253; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS179 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604908066738; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS182 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603921611341; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS183 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606376094597; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS180 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605607525810; Eh | - | - |
Results 392231-392240 of 401714 (Search time: 0.262 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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