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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_neutral_second_TS196 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265593381577; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS137_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728825546108; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS136_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720847987311; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS115_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726149041293; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS117_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723308491057; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS120_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725980579603; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS122_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718413978989; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS123_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724064772018; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS132_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718542621365; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS116_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721682366378; 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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