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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_TS45_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726594487929; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS60_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725163300377; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS48_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730239307511; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS49_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721556937301; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS214_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721468962147; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS221_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724045810088; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS224_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721861844108; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS219_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720877702952; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS213_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729261427680; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS225_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721061045996; Eh | - | - |
Results 392151-392160 of 401714 (Search time: 0.257 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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