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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_TS195_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263534586258; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS210_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262479650918; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS211_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261370269159; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS208_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263895474312; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS382_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263324123803; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS406_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261337320451; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS427_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261408878491; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS385_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264743719438; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS403_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263291256735; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS407_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262236991291; Eh | - | - |
Results 388681-388690 of 402241 (Search time: 0.219 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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