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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_second_TS58 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728818934249; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS53 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725354220198; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS54 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726415444485; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS57 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722070658052; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS59 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.717414718544; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS60 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723841099570; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS55 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726463284381; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS56 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722238887334; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS52 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727592980198; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS124 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729560563547; Eh | - | - |
Results 389991-390000 of 402373 (Search time: 0.211 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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