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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_TS464_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263935732542; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS440_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.260606309124; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS78 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264256925510; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS79 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264801662632; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS81 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266349043820; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS83 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263708319179; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS84 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265458909311; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS76 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264891047496; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS82 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261278363461; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS80 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266559174726; 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
- 3145 Homogeneous catalysis
- 3047 boron
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