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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_TS51 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606001298169; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS53 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604684346407; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS131 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604274894910; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS132 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603420887407; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS133 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608762304860; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS143 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605222524048; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS139 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606018424488; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS136 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607940405337; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS137 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605999414694; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS135 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605860034826; Eh | - | - |
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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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