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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_diffsub_initial_TS14_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604323657628; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS24_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601221392335; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS18_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603947814025; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS19_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604937658379; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS23_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604751861678; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS183_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.598409093021; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS186_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601475961581; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS194_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599325130330; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS199_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603218100704; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS181_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604613041613; Eh | - | - |
Results 390671-390680 of 402296 (Search time: 0.225 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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