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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_TS2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266518943489; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS8 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266854014867; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS9 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.268186902355; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS67 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262018232888; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS73 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261305445040; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS74 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265923418009; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS75 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265732830520; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS71 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262988181600; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS72 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263305518448; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS70 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266245796225; 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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