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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_TS144_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263634486193; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS148_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265055084200; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS150_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262683074077; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS141_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264427457216; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS138_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265053158279; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS135_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264322944133; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS151_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264228464061; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS136_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265397372906; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS338_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266519509562; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS343_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261690273825; 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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