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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_TS461_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604686692414; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS463_3 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609069281661; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS454_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606620257801; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS457_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605324154201; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609075641607; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS90 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604306138182; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS93 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607782464660; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS94 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606904292550; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS95 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606488785443; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS85 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606112302338; 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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