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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_TS113 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606246583875; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS117 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606431844270; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS125 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605955025747; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS126 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606793456581; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS127 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605556362310; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS129 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601057699285; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS124 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609558545950; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS130 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609543391896; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS119 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607662485193; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS120 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607181262277; 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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