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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_TS246_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.260528048683; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS236_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262725307362; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS266_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261744133956; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS264_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263624880393; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS473_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261673440367; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS489_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264797473136; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS5 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.267604272413; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS4 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266875208275; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS7 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266440318271; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS3 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264787035709; 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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