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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_TS158 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265592723103; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS160 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264593115436; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS167 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263962891563; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS77_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727327048801; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS82_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728659116339; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS63_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726303974817; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS66_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722262768247; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS67_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726318505732; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS71_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726443351684; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS72_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725158994426; Eh | - | - |
Results 389961-389970 of 402373 (Search time: 0.243 seconds).
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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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