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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_anion_second_TS133 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723280647240; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS134 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728425716577; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS132 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719713452439; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS128 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726399935737; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS129 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722445908914; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS135 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720424209990; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS13_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.598912292263; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS3_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603502513666; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS5_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603158564322; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS7_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604935300485; 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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