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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_TS173_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601330338135; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS153_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600750672698; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS156_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604878753903; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS174_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603064127899; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS70 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608721555044; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS72 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602437104633; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS73 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607658905216; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS62 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609510752037; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS64 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607279942510; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS65 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607879018523; Eh | - | - |
Results 391321-391330 of 402241 (Search time: 0.234 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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