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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_TS56 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262151363076; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS61 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265682074020; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS62 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264295428887; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS131 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262502075082; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS123 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265839268775; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS129 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266849665011; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS130 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265460899977; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS127 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262626259980; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS124 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266250954538; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS125 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265972018569; 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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