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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_TS130_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265395711967; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS119_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265859627610; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS129_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265052645615; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS120_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261323429149; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS122_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265917270152; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS118_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263621525188; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS121_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263794936373; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS128_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262528319083; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS133_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264684699906; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS315_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264047780032; 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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