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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_TS121 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603889738144; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS218 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604425825260; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS221 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602911707771; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS224 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603501572582; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS209 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606690969076; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS211 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603345859166; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS214 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604049215523; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS223 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605609856831; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS219 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603020000874; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS215 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606124544512; 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
- 3145 Homogeneous catalysis
- 3047 boron
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