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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_TS299_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602800419159; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS300_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601235788502; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS304_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603457706374; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS115 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605049515867; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS108 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607022502427; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS109 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607879442684; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS111 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603507403409; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS112 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608762964844; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS116 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606037757178; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS118 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605178944770; 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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