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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_initial_TS105_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263692202695; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS117_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.258044054893; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS111_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264136946619; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS108_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262769846381; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS99_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266156815245; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS98_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264717378198; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS284_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263689450618; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS269_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263621498147; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS278_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264045282944; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS287_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.259761017538; 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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