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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_neutral_second_TS28 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266433653858; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS30 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266764748166; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS31 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264692202105; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS24 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264752623774; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS32 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263635453291; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS105 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.267429745228; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS107 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264729613667; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS108 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261711074791; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS100 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265866252877; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS103 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265560512367; Eh | - | - |
Results 389941-389950 of 402373 (Search time: 0.2 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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