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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_TS49 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730720856803; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS110 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722244536018; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS111 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728484642582; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS112 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727544601602; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS115 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725397020318; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS116 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726323047928; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS117 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720359750385; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS113 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724672519309; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS114 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726721857900; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS118 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724498120420; Eh | - | - |
Results 392181-392190 of 401714 (Search time: 0.246 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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