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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_TS35_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605499490822; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS36_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605682966192; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS41_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602790707141; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS40_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604934527179; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS27_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602958919303; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS234_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603089788613; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS225_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600038215833; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS227_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.598702765039; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS211_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599042957218; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS219_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605289277984; 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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