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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_anion_initial_TS69_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723333540328; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS64_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726519846148; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS234_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724650467912; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS232_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723074419439; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS233_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722023099569; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS229_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721576112618; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS230_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722128477197; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS241_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721126723023; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS246_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717953798232; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS238_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723712803496; Eh | - | - |
Results 389971-389980 of 402373 (Search time: 0.221 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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